N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C17H37N3 — CID 65088625

IUPACN'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C17H37N3/c1-6-12-20(14-13-19(4)5)17(15-18)9-7-8-16(2,3)10-11-17/h6-15,18H2,1-5H3
InChIKeyDDXNAMLSCXAQIH-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.95
Rot. Bonds7

About N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 65088625) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID65088625
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C17H37N3/c1-6-12-20(14-13-19(4)5)17(15-18)9-7-8-16(2,3)10-11-17/h6-15,18H2,1-5H3
InChIKeyDDXNAMLSCXAQIH-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 65088625) is N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is DDXNAMLSCXAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-12-20(14-13-19(4)5)17(15-18)9-7-8-16(2,3)10-11-17/h6-15,18H2,1-5H3.
What are the key properties of N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 65088625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).