1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide

C17H35N3O — CID 107870991

IUPAC1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C17H35N3O/c1-13(2)7-10-20(11-8-14(3)4)15-6-5-9-17(19,12-15)16(18)21/h13-15H,5-12,19H2,1-4H3,(H2,18,21)
InChIKeyFQWOQKBKUSZWHL-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.51
Rot. Bonds8

About 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide

1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide (PubChem CID 107870991) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
PubChem CID107870991
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C17H35N3O/c1-13(2)7-10-20(11-8-14(3)4)15-6-5-9-17(19,12-15)16(18)21/h13-15H,5-12,19H2,1-4H3,(H2,18,21)
InChIKeyFQWOQKBKUSZWHL-UHFFFAOYSA-N
XLogP2.51
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide (CID 107870991) is 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide is CC(C)CCN(CCC(C)C)C1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide?
The InChIKey is FQWOQKBKUSZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-13(2)7-10-20(11-8-14(3)4)15-6-5-9-17(19,12-15)16(18)21/h13-15H,5-12,19H2,1-4H3,(H2,18,21).
What are the key properties of 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide?
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide has a molecular weight of 297.49 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 107870991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).