2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide

C15H31N3O — CID 62008324

IUPAC2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C1(CN)CCCCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(5-2)14(19)12-17(3)15(13-16)10-8-6-7-9-11-15/h4-13,16H2,1-3H3
InChIKeyPJPQQTHYMVZZQE-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds6

About 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide

2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide (PubChem CID 62008324) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide
PubChem CID62008324
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C1(CN)CCCCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(5-2)14(19)12-17(3)15(13-16)10-8-6-7-9-11-15/h4-13,16H2,1-3H3
InChIKeyPJPQQTHYMVZZQE-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 62010543
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 104677833
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 62004874
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
CID 62010140
3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325485
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
CID 62008114
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 62004877
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide
CID 62004521
3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide
CID 62008325
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 62006539

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide (CID 62008324) is 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)C1(CN)CCCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide?
The InChIKey is PJPQQTHYMVZZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(5-2)14(19)12-17(3)15(13-16)10-8-6-7-9-11-15/h4-13,16H2,1-3H3.
What are the key properties of 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide?
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 62008324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).