6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine

C21H38N6 — CID 146863567

IUPAC6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN1CC2CC(CN3CC4NCC3C[C@@H]4N3CC4CCC(C3)N4)C(C1)C2N
InChIInChI=1S/C21H38N6/c1-25-7-14-4-13(18(11-25)21(14)22)8-26-12-19-20(5-17(26)6-23-19)27-9-15-2-3-16(10-27)24-15/h13-21,23-24H,2-12,22H2,1H3/t13?,14?,15?,16?,17?,18?,19?,20-,21?/m0/s1
InChIKeySLHZRDVXEVXTFQ-LNAJFSBWSA-N
MW374.58 g/mol
LogP-0.64
Rot. Bonds3

About 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine

6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 146863567) has the molecular formula C21H38N6 and a molecular weight of 374.58 g/mol. Its IUPAC name is 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID146863567
Molecular FormulaC21H38N6
Molecular Weight374.58 g/mol
Exact Mass374.32
IUPAC Name6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN1CC2CC(CN3CC4NCC3C[C@@H]4N3CC4CCC(C3)N4)C(C1)C2N
InChIInChI=1S/C21H38N6/c1-25-7-14-4-13(18(11-25)21(14)22)8-26-12-19-20(5-17(26)6-23-19)27-9-15-2-3-16(10-27)24-15/h13-21,23-24H,2-12,22H2,1H3/t13?,14?,15?,16?,17?,18?,19?,20-,21?/m0/s1
InChIKeySLHZRDVXEVXTFQ-LNAJFSBWSA-N
XLogP-0.64
TPSA59.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine with MolForge

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Related Compounds

6-[[8-(3,8-Diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 148746254
2-Azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.1]octane;1-cyclopropylpiperazine;1-methylpiperazine;piperidine
CID 157893670
3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butyl-3,5-dimethylpiperazine;(3S,5R)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-2,6-dimethylpiperidine;(2R,6S)-1-tert-butyl-2,6-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;(2S,6R)-4-tert-butyl-1,2,6-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 157953789
Ethane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;tris(1-propan-2-ylpiperidine)
CID 159638837
8-(1-Azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane
CID 175638095

Frequently Asked Questions

What is the IUPAC name of 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine (CID 146863567) is 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine is CN1CC2CC(CN3CC4NCC3C[C@@H]4N3CC4CCC(C3)N4)C(C1)C2N.
What is the InChIKey of 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is SLHZRDVXEVXTFQ-LNAJFSBWSA-N. The full InChI is InChI=1S/C21H38N6/c1-25-7-14-4-13(18(11-25)21(14)22)8-26-12-19-20(5-17(26)6-23-19)27-9-15-2-3-16(10-27)24-15/h13-21,23-24H,2-12,22H2,1H3/t13?,14?,15?,16?,17?,18?,19?,20-,21?/m0/s1.
What are the key properties of 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 374.58 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 146863567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).