4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine

C18H31N3 — CID 63501562

IUPAC4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)C2CCC(CC)CC2)ccn1
InChIInChI=1S/C18H31N3/c1-4-11-19-18-13-16(10-12-20-18)14-21(3)17-8-6-15(5-2)7-9-17/h10,12-13,15,17H,4-9,11,14H2,1-3H3,(H,19,20)
InChIKeyMNLDIRGXBHGIPA-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.30
Rot. Bonds7

About 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine

4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine (PubChem CID 63501562) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine
PubChem CID63501562
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)C2CCC(CC)CC2)ccn1
InChIInChI=1S/C18H31N3/c1-4-11-19-18-13-16(10-12-20-18)14-21(3)17-8-6-15(5-2)7-9-17/h10,12-13,15,17H,4-9,11,14H2,1-3H3,(H,19,20)
InChIKeyMNLDIRGXBHGIPA-UHFFFAOYSA-N
XLogP4.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-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-ethyl-4-[[(4-ethylcyclohexyl)-methylamino]methyl]pyridin-2-amine
CID 62466649
4-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 55075272
4-[[cyclopropyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075457
4-[[cyclopropyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62472223
2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636839
4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075363
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile
CID 62470702
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyridine-2,4-diamine
CID 113367881
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62464531
4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471655

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine (CID 63501562) is 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine is CCCNc1cc(CN(C)C2CCC(CC)CC2)ccn1.
What is the InChIKey of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine?
The InChIKey is MNLDIRGXBHGIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-11-19-18-13-16(10-12-20-18)14-21(3)17-8-6-15(5-2)7-9-17/h10,12-13,15,17H,4-9,11,14H2,1-3H3,(H,19,20).
What are the key properties of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine?
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63501562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).