N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine

C15H29NO — CID 65079654

IUPACN-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine
SMILESCC1CCC(CCNC2CCCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-13-4-6-14(7-5-13)8-10-16-15-3-2-11-17-12-9-15/h13-16H,2-12H2,1H3
InChIKeySDRJCKDSTRBPLD-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine

N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine (PubChem CID 65079654) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine
PubChem CID65079654
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine
SMILESCC1CCC(CCNC2CCCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-13-4-6-14(7-5-13)8-10-16-15-3-2-11-17-12-9-15/h13-16H,2-12H2,1H3
InChIKeySDRJCKDSTRBPLD-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine?
The IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine (CID 65079654) is N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine?
The canonical SMILES for N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine is CC1CCC(CCNC2CCCOCC2)CC1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine?
The InChIKey is SDRJCKDSTRBPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13-4-6-14(7-5-13)8-10-16-15-3-2-11-17-12-9-15/h13-16H,2-12H2,1H3.
What are the key properties of N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine?
N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine is sourced from PubChem (CID 65079654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).