2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide

C17H35N3O — CID 62008327

IUPAC2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(CC)C1(CN)CCCCCC1
InChIInChI=1S/C17H35N3O/c1-4-10-15(3)19-16(21)13-20(5-2)17(14-18)11-8-6-7-9-12-17/h15H,4-14,18H2,1-3H3,(H,19,21)
InChIKeyJOHOTGDFSMDZJO-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.66
Rot. Bonds8

About 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide

2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide (PubChem CID 62008327) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
PubChem CID62008327
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(CC)C1(CN)CCCCCC1
InChIInChI=1S/C17H35N3O/c1-4-10-15(3)19-16(21)13-20(5-2)17(14-18)11-8-6-7-9-12-17/h15H,4-14,18H2,1-3H3,(H,19,21)
InChIKeyJOHOTGDFSMDZJO-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62008536
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
CID 62010140
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
CID 62006174
2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-butylacetamide
CID 62004897
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62006572
3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide
CID 62008325

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide (CID 62008327) is 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(CC)C1(CN)CCCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide?
The InChIKey is JOHOTGDFSMDZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-10-15(3)19-16(21)13-20(5-2)17(14-18)11-8-6-7-9-12-17/h15H,4-14,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide?
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide has a molecular weight of 297.49 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 62008327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).