3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine

C19H31NO — CID 107430117

IUPAC3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C19H31NO/c1-14(2)11-16-7-6-10-19(20,13-16)17-8-5-9-18(12-17)21-15(3)4/h5,8-9,12,14-16H,6-7,10-11,13,20H2,1-4H3
InChIKeyULTIXPKRUDJNLT-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.86
Rot. Bonds5

About 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine

3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine (PubChem CID 107430117) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
PubChem CID107430117
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C19H31NO/c1-14(2)11-16-7-6-10-19(20,13-16)17-8-5-9-18(12-17)21-15(3)4/h5,8-9,12,14-16H,6-7,10-11,13,20H2,1-4H3
InChIKeyULTIXPKRUDJNLT-UHFFFAOYSA-N
XLogP4.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine?
The IUPAC name of 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine (CID 107430117) is 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine is CC(C)CC1CCCC(N)(c2cccc(OC(C)C)c2)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine?
The InChIKey is ULTIXPKRUDJNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)11-16-7-6-10-19(20,13-16)17-8-5-9-18(12-17)21-15(3)4/h5,8-9,12,14-16H,6-7,10-11,13,20H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine?
3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 107430117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).