4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide

C18H36N2O — CID 79510877

IUPAC4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C18H36N2O/c1-14(2)9-11-20(12-10-15(3)4)18(21)17-7-5-16(13-19)6-8-17/h14-17H,5-13,19H2,1-4H3
InChIKeyYPGYKLQXORCDMS-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.67
Rot. Bonds8

About 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 79510877) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
PubChem CID79510877
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C18H36N2O/c1-14(2)9-11-20(12-10-15(3)4)18(21)17-7-5-16(13-19)6-8-17/h14-17H,5-13,19H2,1-4H3
InChIKeyYPGYKLQXORCDMS-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide (CID 79510877) is 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide is CC(C)CCN(CCC(C)C)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is YPGYKLQXORCDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)9-11-20(12-10-15(3)4)18(21)17-7-5-16(13-19)6-8-17/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 296.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79510877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).