2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine

C19H35NO — CID 43226011

IUPAC2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine
SMILESC1CCC(C2CCCCC2NCCCOCC2CC2)CC1
InChIInChI=1S/C19H35NO/c1-2-7-17(8-3-1)18-9-4-5-10-19(18)20-13-6-14-21-15-16-11-12-16/h16-20H,1-15H2
InChIKeyOKPDAFZFGHLXSX-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.53
Rot. Bonds8

About 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine

2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine (PubChem CID 43226011) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine
PubChem CID43226011
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine
SMILESC1CCC(C2CCCCC2NCCCOCC2CC2)CC1
InChIInChI=1S/C19H35NO/c1-2-7-17(8-3-1)18-9-4-5-10-19(18)20-13-6-14-21-15-16-11-12-16/h16-20H,1-15H2
InChIKeyOKPDAFZFGHLXSX-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.53
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 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine (CID 43226011) is 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine is C1CCC(C2CCCCC2NCCCOCC2CC2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine?
The InChIKey is OKPDAFZFGHLXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-7-17(8-3-1)18-9-4-5-10-19(18)20-13-6-14-21-15-16-11-12-16/h16-20H,1-15H2.
What are the key properties of 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine?
2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[3-(cyclopropylmethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 43226011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).