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

C16H28N2 — CID 81404154

IUPACN-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
SMILESCCCCCCCCCN[C@@H](C)c1cccnc1
InChIInChI=1S/C16H28N2/c1-3-4-5-6-7-8-9-13-18-15(2)16-11-10-12-17-14-16/h10-12,14-15,18H,3-9,13H2,1-2H3/t15-/m0/s1
InChIKeyLJNRHXYUXQBUSA-HNNXBMFYSA-N
MW248.41 g/mol
LogP4.48
Rot. Bonds10

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

N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine (PubChem CID 81404154) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
PubChem CID81404154
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
SMILESCCCCCCCCCN[C@@H](C)c1cccnc1
InChIInChI=1S/C16H28N2/c1-3-4-5-6-7-8-9-13-18-15(2)16-11-10-12-17-14-16/h10-12,14-15,18H,3-9,13H2,1-2H3/t15-/m0/s1
InChIKeyLJNRHXYUXQBUSA-HNNXBMFYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.48
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-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
N-(2-butoxyethyl)-1-pyridin-3-ylethanamine
CID 61171825
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine (CID 81404154) is N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine is CCCCCCCCCN[C@@H](C)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine?
The InChIKey is LJNRHXYUXQBUSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-4-5-6-7-8-9-13-18-15(2)16-11-10-12-17-14-16/h10-12,14-15,18H,3-9,13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine?
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.48, 10 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]nonan-1-amine is sourced from PubChem (CID 81404154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).