2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

C19H29NO — CID 114712383

IUPAC2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C2CCC(C)CC2)Oc2ccccc21
InChIInChI=1S/C19H29NO/c1-3-12-20-17-13-19(15-10-8-14(2)9-11-15)21-18-7-5-4-6-16(17)18/h4-7,14-15,17,19-20H,3,8-13H2,1-2H3
InChIKeyQWBPBVHSAAXPQI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.70
Rot. Bonds4

About 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712383) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712383
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C2CCC(C)CC2)Oc2ccccc21
InChIInChI=1S/C19H29NO/c1-3-12-20-17-13-19(15-10-8-14(2)9-11-15)21-18-7-5-4-6-16(17)18/h4-7,14-15,17,19-20H,3,8-13H2,1-2H3
InChIKeyQWBPBVHSAAXPQI-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114712383) is 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(C2CCC(C)CC2)Oc2ccccc21.
What is the InChIKey of 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QWBPBVHSAAXPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-12-20-17-13-19(15-10-8-14(2)9-11-15)21-18-7-5-4-6-16(17)18/h4-7,14-15,17,19-20H,3,8-13H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).