N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine

C16H29NO — CID 67486974

IUPACN-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine
SMILESC=C(C)COC1(NC2CCCCC2)CCCCC1
InChIInChI=1S/C16H29NO/c1-14(2)13-18-16(11-7-4-8-12-16)17-15-9-5-3-6-10-15/h15,17H,1,3-13H2,2H3
InChIKeyARJSNQHZUOUVRX-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.16
Rot. Bonds5

About N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine

N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine (PubChem CID 67486974) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine
PubChem CID67486974
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine
SMILESC=C(C)COC1(NC2CCCCC2)CCCCC1
InChIInChI=1S/C16H29NO/c1-14(2)13-18-16(11-7-4-8-12-16)17-15-9-5-3-6-10-15/h15,17H,1,3-13H2,2H3
InChIKeyARJSNQHZUOUVRX-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 67483354
CID 67483354
CID 67485005
CID 67485005
CID 104454396
CID 104454396
CID 104454809
CID 104454809
CID 104455192
CID 104455192

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine?
The IUPAC name of N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine (CID 67486974) is N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine.
What is the SMILES notation for N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine?
The canonical SMILES for N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine is C=C(C)COC1(NC2CCCCC2)CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine?
The InChIKey is ARJSNQHZUOUVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-14(2)13-18-16(11-7-4-8-12-16)17-15-9-5-3-6-10-15/h15,17H,1,3-13H2,2H3.
What are the key properties of N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine?
N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-methylprop-2-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 67486974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).