N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine

C18H30N2 — CID 81029849

IUPACN-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)C)CC1c1cccnc1
InChIInChI=1S/C18H30N2/c1-4-9-19-13-17-8-7-15(14(2)3)11-18(17)16-6-5-10-20-12-16/h5-6,10,12,14-15,17-19H,4,7-9,11,13H2,1-3H3
InChIKeyUBIILBLWPURKCL-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.24
Rot. Bonds6

About N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine

N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine (PubChem CID 81029849) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
PubChem CID81029849
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)C)CC1c1cccnc1
InChIInChI=1S/C18H30N2/c1-4-9-19-13-17-8-7-15(14(2)3)11-18(17)16-6-5-10-20-12-16/h5-6,10,12,14-15,17-19H,4,7-9,11,13H2,1-3H3
InChIKeyUBIILBLWPURKCL-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine (CID 81029849) is N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine is CCCNCC1CCC(C(C)C)CC1c1cccnc1.
What is the InChIKey of N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine?
The InChIKey is UBIILBLWPURKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-9-19-13-17-8-7-15(14(2)3)11-18(17)16-6-5-10-20-12-16/h5-6,10,12,14-15,17-19H,4,7-9,11,13H2,1-3H3.
What are the key properties of N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine?
N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 81029849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).