1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine

C16H31NO — CID 114277704

IUPAC1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(C2CCCC(OC)C2)CC1
InChIInChI=1S/C16H31NO/c1-3-5-13-8-10-16(17,11-9-13)14-6-4-7-15(12-14)18-2/h13-15H,3-12,17H2,1-2H3
InChIKeyQLJKNXFFQNIWRJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.88
Rot. Bonds4

About 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine

1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine (PubChem CID 114277704) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine
PubChem CID114277704
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(C2CCCC(OC)C2)CC1
InChIInChI=1S/C16H31NO/c1-3-5-13-8-10-16(17,11-9-13)14-6-4-7-15(12-14)18-2/h13-15H,3-12,17H2,1-2H3
InChIKeyQLJKNXFFQNIWRJ-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine (CID 114277704) is 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(C2CCCC(OC)C2)CC1.
What is the InChIKey of 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine?
The InChIKey is QLJKNXFFQNIWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-5-13-8-10-16(17,11-9-13)14-6-4-7-15(12-14)18-2/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine?
1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 114277704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).