2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine

C17H35N3 — CID 79175486

IUPAC2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
SMILESCCCCCCC(C)(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H35N3/c1-4-5-6-7-11-17(2,14-18)20-12-10-15-8-9-16(13-20)19(15)3/h15-16H,4-14,18H2,1-3H3
InChIKeyULEGNGAYGSOLQD-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.84
Rot. Bonds7

About 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine

2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine (PubChem CID 79175486) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
PubChem CID79175486
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
SMILESCCCCCCC(C)(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H35N3/c1-4-5-6-7-11-17(2,14-18)20-12-10-15-8-9-16(13-20)19(15)3/h15-16H,4-14,18H2,1-3H3
InChIKeyULEGNGAYGSOLQD-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine
CID 63169684
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine
CID 79174956
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
2-methyl-2-(2-methylmorpholin-4-yl)nonan-1-amine
CID 43130140
1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 80557428
2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine?
The IUPAC name of 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine (CID 79175486) is 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine.
What is the SMILES notation for 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine?
The canonical SMILES for 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine is CCCCCCC(C)(CN)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine?
The InChIKey is ULEGNGAYGSOLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-5-6-7-11-17(2,14-18)20-12-10-15-8-9-16(13-20)19(15)3/h15-16H,4-14,18H2,1-3H3.
What are the key properties of 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine?
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine is sourced from PubChem (CID 79175486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).