3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide

C13H27N3O — CID 62008325

IUPAC3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide
SMILESCCN(CCC(N)=O)C1(CN)CCCCCC1
InChIInChI=1S/C13H27N3O/c1-2-16(10-7-12(15)17)13(11-14)8-5-3-4-6-9-13/h2-11,14H2,1H3,(H2,15,17)
InChIKeyXBXGLGGJRAGZCE-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.24
Rot. Bonds6

About 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide

3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide (PubChem CID 62008325) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide.

Molecular Properties

Compound Name3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide
PubChem CID62008325
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide
SMILESCCN(CCC(N)=O)C1(CN)CCCCCC1
InChIInChI=1S/C13H27N3O/c1-2-16(10-7-12(15)17)13(11-14)8-5-3-4-6-9-13/h2-11,14H2,1H3,(H2,15,17)
InChIKeyXBXGLGGJRAGZCE-UHFFFAOYSA-N
XLogP1.24
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide
CID 62004521
3-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-ethylpropanamide
CID 55061632
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol
CID 107702972
N'-[1-(aminomethyl)cyclopentyl]-N,N,N'-triethylethane-1,2-diamine
CID 62010550
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
CID 62006174
1-(aminomethyl)-N-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide?
The IUPAC name of 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide (CID 62008325) is 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide.
What is the SMILES notation for 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide?
The canonical SMILES for 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide is CCN(CCC(N)=O)C1(CN)CCCCCC1.
What is the InChIKey of 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide?
The InChIKey is XBXGLGGJRAGZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-16(10-7-12(15)17)13(11-14)8-5-3-4-6-9-13/h2-11,14H2,1H3,(H2,15,17).
What are the key properties of 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide?
3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide has a molecular weight of 241.38 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide is sourced from PubChem (CID 62008325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).