N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine

C16H29NO — CID 67483354

IUPACN-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
SMILESC=C(C)COC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-13(2)12-18-16-10-8-15(9-11-16)17-14-6-4-3-5-7-14/h14-17H,1,3-12H2,2H3
InChIKeyFRGOJVCDKDAGMF-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds5

About N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine

N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine (PubChem CID 67483354) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
PubChem CID67483354
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
SMILESC=C(C)COC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-13(2)12-18-16-10-8-15(9-11-16)17-14-6-4-3-5-7-14/h14-17H,1,3-12H2,2H3
InChIKeyFRGOJVCDKDAGMF-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine?
The IUPAC name of N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine (CID 67483354) is N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine.
What is the SMILES notation for N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine?
The canonical SMILES for N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine is C=C(C)COC1CCC(NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine?
The InChIKey is FRGOJVCDKDAGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)12-18-16-10-8-15(9-11-16)17-14-6-4-3-5-7-14/h14-17H,1,3-12H2,2H3.
What are the key properties of N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine?
N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 67483354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).