4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide

C17H35N3O — CID 62005625

IUPAC4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide
SMILESCCCN(CCCC(=O)N(C)C)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H35N3O/c1-5-12-20(13-6-7-16(21)19(3)4)17(14-18)10-8-15(2)9-11-17/h15H,5-14,18H2,1-4H3
InChIKeyKOYBTZMXEIFWCJ-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.47
Rot. Bonds8

About 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide

4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide (PubChem CID 62005625) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide
PubChem CID62005625
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide
SMILESCCCN(CCCC(=O)N(C)C)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H35N3O/c1-5-12-20(13-6-7-16(21)19(3)4)17(14-18)10-8-15(2)9-11-17/h15H,5-14,18H2,1-4H3
InChIKeyKOYBTZMXEIFWCJ-UHFFFAOYSA-N
XLogP2.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide (CID 62005625) is 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide is CCCN(CCCC(=O)N(C)C)C1(CN)CCC(C)CC1.
What is the InChIKey of 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide?
The InChIKey is KOYBTZMXEIFWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-12-20(13-6-7-16(21)19(3)4)17(14-18)10-8-15(2)9-11-17/h15H,5-14,18H2,1-4H3.
What are the key properties of 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide?
4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide has a molecular weight of 297.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 62005625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).