N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C15H33N3 — CID 62611045

IUPACN'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1CCCCCC1N
InChIInChI=1S/C15H33N3/c1-4-10-18(12-11-17(2)3)13-14-8-6-5-7-9-15(14)16/h14-15H,4-13,16H2,1-3H3
InChIKeyKMGOKXCNJOQLNF-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.17
Rot. Bonds7

About N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62611045) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62611045
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1CCCCCC1N
InChIInChI=1S/C15H33N3/c1-4-10-18(12-11-17(2)3)13-14-8-6-5-7-9-15(14)16/h14-15H,4-13,16H2,1-3H3
InChIKeyKMGOKXCNJOQLNF-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62611045) is N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)CC1CCCCCC1N.
What is the InChIKey of N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is KMGOKXCNJOQLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-4-10-18(12-11-17(2)3)13-14-8-6-5-7-9-15(14)16/h14-15H,4-13,16H2,1-3H3.
What are the key properties of N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62611045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).