5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine

C19H32N2 — CID 66272759

IUPAC5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)c1cnccc1C
InChIInChI=1S/C19H32N2/c1-6-10-21-18-12-14(2)7-8-16(18)19(4,5)17-13-20-11-9-15(17)3/h9,11,13-14,16,18,21H,6-8,10,12H2,1-5H3
InChIKeyPRRFVTSPBGCVBA-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.47
Rot. Bonds5

About 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine

5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine (PubChem CID 66272759) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine
PubChem CID66272759
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)c1cnccc1C
InChIInChI=1S/C19H32N2/c1-6-10-21-18-12-14(2)7-8-16(18)19(4,5)17-13-20-11-9-15(17)3/h9,11,13-14,16,18,21H,6-8,10,12H2,1-5H3
InChIKeyPRRFVTSPBGCVBA-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine?
The IUPAC name of 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine (CID 66272759) is 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine is CCCNC1CC(C)CCC1C(C)(C)c1cnccc1C.
What is the InChIKey of 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine?
The InChIKey is PRRFVTSPBGCVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-10-21-18-12-14(2)7-8-16(18)19(4,5)17-13-20-11-9-15(17)3/h9,11,13-14,16,18,21H,6-8,10,12H2,1-5H3.
What are the key properties of 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine?
5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 66272759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).