3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine

C16H26N2 — CID 114269362

IUPAC3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine
SMILESCc1cc(C)nc(C(N)CCC2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-12-10-13(2)18-16(11-12)15(17)9-8-14-6-4-3-5-7-14/h10-11,14-15H,3-9,17H2,1-2H3
InChIKeyUWIIUXKXOYBPAM-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.06
Rot. Bonds4

About 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine

3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine (PubChem CID 114269362) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine
PubChem CID114269362
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine
SMILESCc1cc(C)nc(C(N)CCC2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-12-10-13(2)18-16(11-12)15(17)9-8-14-6-4-3-5-7-14/h10-11,14-15H,3-9,17H2,1-2H3
InChIKeyUWIIUXKXOYBPAM-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine (CID 114269362) is 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine is Cc1cc(C)nc(C(N)CCC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine?
The InChIKey is UWIIUXKXOYBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-10-13(2)18-16(11-12)15(17)9-8-14-6-4-3-5-7-14/h10-11,14-15H,3-9,17H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine?
3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4,6-dimethyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 114269362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).