1-pyridin-4-ylhexan-3-amine

C11H18N2 — CID 105080578

IUPAC1-pyridin-4-ylhexan-3-amine
SMILESCCCC(N)CCc1ccncc1
InChIInChI=1S/C11H18N2/c1-2-3-11(12)5-4-10-6-8-13-9-7-10/h6-9,11H,2-5,12H2,1H3
InChIKeyJUYXNCHRHIAEQW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.14
Rot. Bonds5

About 1-pyridin-4-ylhexan-3-amine

1-pyridin-4-ylhexan-3-amine (PubChem CID 105080578) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-pyridin-4-ylhexan-3-amine.

Molecular Properties

Compound Name1-pyridin-4-ylhexan-3-amine
PubChem CID105080578
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-pyridin-4-ylhexan-3-amine
SMILESCCCC(N)CCc1ccncc1
InChIInChI=1S/C11H18N2/c1-2-3-11(12)5-4-10-6-8-13-9-7-10/h6-9,11H,2-5,12H2,1H3
InChIKeyJUYXNCHRHIAEQW-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-pyridin-4-ylhexan-3-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

(3R)-1-phenylhexan-3-amine
CID 66612996
1-pyridin-3-ylhexan-3-amine
CID 64506028
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
1-pyridin-4-ylhept-5-yn-3-amine
CID 105112690
1-pyridin-4-ylhex-5-en-3-amine
CID 105108635
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506
1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
4-(3-tetradecylheptadecyl)pyridine
CID 90972273

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylhexan-3-amine?
The IUPAC name of 1-pyridin-4-ylhexan-3-amine (CID 105080578) is 1-pyridin-4-ylhexan-3-amine.
What is the SMILES notation for 1-pyridin-4-ylhexan-3-amine?
The canonical SMILES for 1-pyridin-4-ylhexan-3-amine is CCCC(N)CCc1ccncc1.
What is the InChIKey of 1-pyridin-4-ylhexan-3-amine?
The InChIKey is JUYXNCHRHIAEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-3-11(12)5-4-10-6-8-13-9-7-10/h6-9,11H,2-5,12H2,1H3.
What are the key properties of 1-pyridin-4-ylhexan-3-amine?
1-pyridin-4-ylhexan-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylhexan-3-amine is sourced from PubChem (CID 105080578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).