[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine

C17H33N3 — CID 104678907

IUPAC[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine
SMILESNCC1(CCN2CCC(N3CCCC3)C2)CCCCC1
InChIInChI=1S/C17H33N3/c18-15-17(7-2-1-3-8-17)9-13-19-12-6-16(14-19)20-10-4-5-11-20/h16H,1-15,18H2
InChIKeyBQKDPKYRXAJIMM-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.46
Rot. Bonds5

About [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine

[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine (PubChem CID 104678907) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine
PubChem CID104678907
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine
SMILESNCC1(CCN2CCC(N3CCCC3)C2)CCCCC1
InChIInChI=1S/C17H33N3/c18-15-17(7-2-1-3-8-17)9-13-19-12-6-16(14-19)20-10-4-5-11-20/h16H,1-15,18H2
InChIKeyBQKDPKYRXAJIMM-UHFFFAOYSA-N
XLogP2.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine
CID 81170715
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
CID 104678921
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]cyclohexyl]methanamine
CID 104678904
1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 63723420
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
CID 79170228
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine (CID 104678907) is [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine is NCC1(CCN2CCC(N3CCCC3)C2)CCCCC1.
What is the InChIKey of [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine?
The InChIKey is BQKDPKYRXAJIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c18-15-17(7-2-1-3-8-17)9-13-19-12-6-16(14-19)20-10-4-5-11-20/h16H,1-15,18H2.
What are the key properties of [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine?
[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 104678907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).