N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine

C17H30N2 — CID 81410025

IUPACN-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
SMILESCCCCCCCCCCN[C@@H](C)c1ccncc1
InChIInChI=1S/C17H30N2/c1-3-4-5-6-7-8-9-10-13-19-16(2)17-11-14-18-15-12-17/h11-12,14-16,19H,3-10,13H2,1-2H3/t16-/m0/s1
InChIKeyRMPVPNORXVSSKZ-INIZCTEOSA-N
MW262.44 g/mol
LogP4.87
Rot. Bonds11

About N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine

N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine (PubChem CID 81410025) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
PubChem CID81410025
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
SMILESCCCCCCCCCCN[C@@H](C)c1ccncc1
InChIInChI=1S/C17H30N2/c1-3-4-5-6-7-8-9-10-13-19-16(2)17-11-14-18-15-12-17/h11-12,14-16,19H,3-10,13H2,1-2H3/t16-/m0/s1
InChIKeyRMPVPNORXVSSKZ-INIZCTEOSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.87
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

5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
N-[1-(4-iodophenyl)ethyl]hexan-1-amine
CID 43769665
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410148

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine (CID 81410025) is N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine is CCCCCCCCCCN[C@@H](C)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine?
The InChIKey is RMPVPNORXVSSKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-4-5-6-7-8-9-10-13-19-16(2)17-11-14-18-15-12-17/h11-12,14-16,19H,3-10,13H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine?
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.87, 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-4-ylethyl]decan-1-amine is sourced from PubChem (CID 81410025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).