hexan-2-amine;pyridine-4-carboxylic acid

C12H20N2O2 — CID 159105721

IUPAChexan-2-amine;pyridine-4-carboxylic acid
SMILESCCCCC(C)N.O=C(O)c1ccncc1
InChIInChI=1S/C6H5NO2.C6H15N/c8-6(9)5-1-3-7-4-2-5;1-3-4-5-6(2)7/h1-4H,(H,8,9);6H,3-5,7H2,1-2H3
InChIKeyKDVXNYCMRFCGKM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.30
Rot. Bonds4

About hexan-2-amine;pyridine-4-carboxylic acid

hexan-2-amine;pyridine-4-carboxylic acid (PubChem CID 159105721) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is hexan-2-amine;pyridine-4-carboxylic acid.

Molecular Properties

Compound Namehexan-2-amine;pyridine-4-carboxylic acid
PubChem CID159105721
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namehexan-2-amine;pyridine-4-carboxylic acid
SMILESCCCCC(C)N.O=C(O)c1ccncc1
InChIInChI=1S/C6H5NO2.C6H15N/c8-6(9)5-1-3-7-4-2-5;1-3-4-5-6(2)7/h1-4H,(H,8,9);6H,3-5,7H2,1-2H3
InChIKeyKDVXNYCMRFCGKM-UHFFFAOYSA-N
XLogP2.30
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze hexan-2-amine;pyridine-4-carboxylic acid 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

bis(hexan-2-amine);oxalic acid
CID 175216358
ethyl carbonochloridate;pyridine-4-carboxylic acid
CID 174781214
pentan-2-one;pyridine-4-carboxylic acid
CID 174864210
5-amino-N-ethyl-N-pyridin-4-ylhexanamide
CID 106935326
(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
CID 113357165
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
4-hydroxybenzoic acid;3-methylheptane
CID 66663294
4-hexan-2-yloxybenzoic acid
CID 19593666
carbamic acid;undecan-2-amine
CID 175209089
4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
CID 125129263
hydrazinecarboxylic acid;pyridine-4-carboxylic acid
CID 161178249
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804

Frequently Asked Questions

What is the IUPAC name of hexan-2-amine;pyridine-4-carboxylic acid?
The IUPAC name of hexan-2-amine;pyridine-4-carboxylic acid (CID 159105721) is hexan-2-amine;pyridine-4-carboxylic acid.
What is the SMILES notation for hexan-2-amine;pyridine-4-carboxylic acid?
The canonical SMILES for hexan-2-amine;pyridine-4-carboxylic acid is CCCCC(C)N.O=C(O)c1ccncc1.
What is the InChIKey of hexan-2-amine;pyridine-4-carboxylic acid?
The InChIKey is KDVXNYCMRFCGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C6H15N/c8-6(9)5-1-3-7-4-2-5;1-3-4-5-6(2)7/h1-4H,(H,8,9);6H,3-5,7H2,1-2H3.
What are the key properties of hexan-2-amine;pyridine-4-carboxylic acid?
hexan-2-amine;pyridine-4-carboxylic acid has a molecular weight of 224.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-amine;pyridine-4-carboxylic acid is sourced from PubChem (CID 159105721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).