2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine

C18H33N3 — CID 81249966

IUPAC2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCCCN(c1cc(C)ncc1CNCCC)C(C)C
InChIInChI=1S/C18H33N3/c1-6-8-9-11-21(15(3)4)18-12-16(5)20-14-17(18)13-19-10-7-2/h12,14-15,19H,6-11,13H2,1-5H3
InChIKeyQKXKTPAFKVSQQE-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.29
Rot. Bonds10

About 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine

2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine (PubChem CID 81249966) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine
PubChem CID81249966
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCCCN(c1cc(C)ncc1CNCCC)C(C)C
InChIInChI=1S/C18H33N3/c1-6-8-9-11-21(15(3)4)18-12-16(5)20-14-17(18)13-19-10-7-2/h12,14-15,19H,6-11,13H2,1-5H3
InChIKeyQKXKTPAFKVSQQE-UHFFFAOYSA-N
XLogP4.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-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

2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
CID 81249761
2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
CID 81249870
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
CID 81249414
N,2-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81248842
2-N-ethyl-2-N-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191539
N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81253096
N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62754981
N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine
CID 62292935
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine
CID 81248139
5-(ethylaminomethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81248626
N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
N-ethyl-5-(ethylaminomethyl)-2-methyl-N-propylpyridin-4-amine
CID 81249866

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine (CID 81249966) is 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine is CCCCCN(c1cc(C)ncc1CNCCC)C(C)C.
What is the InChIKey of 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine?
The InChIKey is QKXKTPAFKVSQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-8-9-11-21(15(3)4)18-12-16(5)20-14-17(18)13-19-10-7-2/h12,14-15,19H,6-11,13H2,1-5H3.
What are the key properties of 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine?
2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine has a molecular weight of 291.48 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81249966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).