N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine

C18H32N2 — CID 81407378

IUPACN-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
SMILESCCCCCC(CCCCC)N[C@@H](C)c1cccnc1
InChIInChI=1S/C18H32N2/c1-4-6-8-12-18(13-9-7-5-2)20-16(3)17-11-10-14-19-15-17/h10-11,14-16,18,20H,4-9,12-13H2,1-3H3/t16-/m0/s1
InChIKeyYTCPODPFDYFGLS-INIZCTEOSA-N
MW276.47 g/mol
LogP5.26
Rot. Bonds11

About N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine

N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine (PubChem CID 81407378) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
PubChem CID81407378
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
SMILESCCCCCC(CCCCC)N[C@@H](C)c1cccnc1
InChIInChI=1S/C18H32N2/c1-4-6-8-12-18(13-9-7-5-2)20-16(3)17-11-10-14-19-15-17/h10-11,14-16,18,20H,4-9,12-13H2,1-3H3/t16-/m0/s1
InChIKeyYTCPODPFDYFGLS-INIZCTEOSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43203644
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
5-methyl-N-(1-pyridin-3-ylethyl)heptan-3-amine
CID 43203612
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
3-decan-5-ylpyridine
CID 170375029
3-tridecan-7-ylpyridine
CID 129119745
3-(1-bromoheptyl)pyridine
CID 140580722

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine (CID 81407378) is N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine is CCCCCC(CCCCC)N[C@@H](C)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine?
The InChIKey is YTCPODPFDYFGLS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-6-8-12-18(13-9-7-5-2)20-16(3)17-11-10-14-19-15-17/h10-11,14-16,18,20H,4-9,12-13H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine?
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine has a molecular weight of 276.47 g/mol, XLogP of 5.26, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine is sourced from PubChem (CID 81407378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).