1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine

C16H32N2O — CID 107449239

IUPAC1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESC=C(C)COCCNC1(CN)CCCC(C(C)C)C1
InChIInChI=1S/C16H32N2O/c1-13(2)11-19-9-8-18-16(12-17)7-5-6-15(10-16)14(3)4/h14-15,18H,1,5-12,17H2,2-4H3
InChIKeyDCLFWPIKQLXPDB-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.71
Rot. Bonds8

About 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107449239) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107449239
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESC=C(C)COCCNC1(CN)CCCC(C(C)C)C1
InChIInChI=1S/C16H32N2O/c1-13(2)11-19-9-8-18-16(12-17)7-5-6-15(10-16)14(3)4/h14-15,18H,1,5-12,17H2,2-4H3
InChIKeyDCLFWPIKQLXPDB-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine (CID 107449239) is 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine is C=C(C)COCCNC1(CN)CCCC(C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is DCLFWPIKQLXPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)11-19-9-8-18-16(12-17)7-5-6-15(10-16)14(3)4/h14-15,18H,1,5-12,17H2,2-4H3.
What are the key properties of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107449239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).