N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine

C13H22N2 — CID 81406053

IUPACN-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
SMILESCCCCC(C)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H22N2/c1-4-5-6-11(2)15-12(3)13-7-9-14-10-8-13/h7-12,15H,4-6H2,1-3H3/t11?,12-/m0/s1
InChIKeyYYYBCBUUAAQFIM-KIYNQFGBSA-N
MW206.33 g/mol
LogP3.31
Rot. Bonds6

About N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine

N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine (PubChem CID 81406053) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
PubChem CID81406053
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
SMILESCCCCC(C)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H22N2/c1-4-5-6-11(2)15-12(3)13-7-9-14-10-8-13/h7-12,15H,4-6H2,1-3H3/t11?,12-/m0/s1
InChIKeyYYYBCBUUAAQFIM-KIYNQFGBSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylethyl)hexan-2-amine
CID 43755937
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 104866879
N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate
CID 103258897
N-[(1S)-1-(4-methylphenyl)ethyl]octan-2-amine
CID 81356110
4-[1-(heptan-2-ylamino)ethyl]phenol
CID 43572743
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine (CID 81406053) is N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine is CCCCC(C)N[C@@H](C)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine?
The InChIKey is YYYBCBUUAAQFIM-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-5-6-11(2)15-12(3)13-7-9-14-10-8-13/h7-12,15H,4-6H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine?
N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.31, 6 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]hexan-2-amine is sourced from PubChem (CID 81406053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).