3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide

C15H29N3O — CID 105420547

IUPAC3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC2(N(C)C)CCC2)CC1N
InChIInChI=1S/C15H29N3O/c1-11-5-6-12(9-13(11)16)14(19)17-10-15(18(2)3)7-4-8-15/h11-13H,4-10,16H2,1-3H3,(H,17,19)
InChIKeyKAHAMJIIFHXTKR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.35
Rot. Bonds4

About 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide

3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 105420547) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide
PubChem CID105420547
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC2(N(C)C)CCC2)CC1N
InChIInChI=1S/C15H29N3O/c1-11-5-6-12(9-13(11)16)14(19)17-10-15(18(2)3)7-4-8-15/h11-13H,4-10,16H2,1-3H3,(H,17,19)
InChIKeyKAHAMJIIFHXTKR-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide (CID 105420547) is 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NCC2(N(C)C)CCC2)CC1N.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is KAHAMJIIFHXTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-5-6-12(9-13(11)16)14(19)17-10-15(18(2)3)7-4-8-15/h11-13H,4-10,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide?
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 105420547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).