4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide

C16H33N3O — CID 63890957

IUPAC4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
SMILESCCCN(CCCC(=O)NC)C1(CN)CCCCCC1
InChIInChI=1S/C16H33N3O/c1-3-12-19(13-8-9-15(20)18-2)16(14-17)10-6-4-5-7-11-16/h3-14,17H2,1-2H3,(H,18,20)
InChIKeyPOIKIUWAJNITGV-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.28
Rot. Bonds8

About 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide

4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide (PubChem CID 63890957) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
PubChem CID63890957
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
SMILESCCCN(CCCC(=O)NC)C1(CN)CCCCCC1
InChIInChI=1S/C16H33N3O/c1-3-12-19(13-8-9-15(20)18-2)16(14-17)10-6-4-5-7-11-16/h3-14,17H2,1-2H3,(H,18,20)
InChIKeyPOIKIUWAJNITGV-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
CID 62326211
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide
CID 62004521
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
CID 104647261
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
CID 62010554
4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide
CID 62005625
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62009544

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide?
The IUPAC name of 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide (CID 63890957) is 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide?
The canonical SMILES for 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide is CCCN(CCCC(=O)NC)C1(CN)CCCCCC1.
What is the InChIKey of 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide?
The InChIKey is POIKIUWAJNITGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-3-12-19(13-8-9-15(20)18-2)16(14-17)10-6-4-5-7-11-16/h3-14,17H2,1-2H3,(H,18,20).
What are the key properties of 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide?
4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide has a molecular weight of 283.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide is sourced from PubChem (CID 63890957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).