2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide

C13H27N3O — CID 62008520

IUPAC2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C1(CN)CCCCCC1
InChIInChI=1S/C13H27N3O/c1-3-15-12(17)10-16(2)13(11-14)8-6-4-5-7-9-13/h3-11,14H2,1-2H3,(H,15,17)
InChIKeyPWNQWAFZJDMEGB-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.11
Rot. Bonds5

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

2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide (PubChem CID 62008520) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
PubChem CID62008520
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C1(CN)CCCCCC1
InChIInChI=1S/C13H27N3O/c1-3-15-12(17)10-16(2)13(11-14)8-6-4-5-7-9-13/h3-11,14H2,1-2H3,(H,15,17)
InChIKeyPWNQWAFZJDMEGB-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325485
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 62004877
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide
CID 62008324
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
CID 62010140
3-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-ethylpropanamide
CID 55061632
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 62004874
2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
CID 65242994
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 62006539
2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 62010543
3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325844
2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid
CID 65243197

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide (CID 62008520) is 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)C1(CN)CCCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide?
The InChIKey is PWNQWAFZJDMEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-15-12(17)10-16(2)13(11-14)8-6-4-5-7-9-13/h3-11,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide?
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide has a molecular weight of 241.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 62008520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).