4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide

C15H31N3O — CID 62004521

IUPAC4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide
SMILESCCN(CCCC(=O)N(C)C)C1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(12-8-9-14(19)17(2)3)15(13-16)10-6-5-7-11-15/h4-13,16H2,1-3H3
InChIKeyUAQRROJYCNOBSQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds7

About 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide

4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide (PubChem CID 62004521) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide
PubChem CID62004521
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide
SMILESCCN(CCCC(=O)N(C)C)C1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(12-8-9-14(19)17(2)3)15(13-16)10-6-5-7-11-15/h4-13,16H2,1-3H3
InChIKeyUAQRROJYCNOBSQ-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide (CID 62004521) is 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide is CCN(CCCC(=O)N(C)C)C1(CN)CCCCC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide?
The InChIKey is UAQRROJYCNOBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(12-8-9-14(19)17(2)3)15(13-16)10-6-5-7-11-15/h4-13,16H2,1-3H3.
What are the key properties of 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide?
4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 62004521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).