2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide

C16H33N3O — CID 62007739

IUPAC2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
SMILESCCCN(CC(=O)NC(C)C)C1(CN)CCCCCC1
InChIInChI=1S/C16H33N3O/c1-4-11-19(12-15(20)18-14(2)3)16(13-17)9-7-5-6-8-10-16/h14H,4-13,17H2,1-3H3,(H,18,20)
InChIKeyXYFLNEAGSGVUCF-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.27
Rot. Bonds7

About 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide

2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide (PubChem CID 62007739) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
PubChem CID62007739
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
SMILESCCCN(CC(=O)NC(C)C)C1(CN)CCCCCC1
InChIInChI=1S/C16H33N3O/c1-4-11-19(12-15(20)18-14(2)3)16(13-17)9-7-5-6-8-10-16/h14H,4-13,17H2,1-3H3,(H,18,20)
InChIKeyXYFLNEAGSGVUCF-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide (CID 62007739) is 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide is CCCN(CC(=O)NC(C)C)C1(CN)CCCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide?
The InChIKey is XYFLNEAGSGVUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-11-19(12-15(20)18-14(2)3)16(13-17)9-7-5-6-8-10-16/h14H,4-13,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide?
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide has a molecular weight of 283.46 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62007739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).