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

C17H37N3 — CID 62611047

IUPACN'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1CCCCCC1NCC
InChIInChI=1S/C17H37N3/c1-5-12-20(14-13-19(3)4)15-16-10-8-7-9-11-17(16)18-6-2/h16-18H,5-15H2,1-4H3
InChIKeyMZEXBBSGIXXNRS-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds9

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

N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62611047) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62611047
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1CCCCCC1NCC
InChIInChI=1S/C17H37N3/c1-5-12-20(14-13-19(3)4)15-16-10-8-7-9-11-17(16)18-6-2/h16-18H,5-15H2,1-4H3
InChIKeyMZEXBBSGIXXNRS-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[2-(ethylamino)cyclopentyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55094563
N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62611045
2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107871148
N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
CID 62610305
N-ethyl-2-[[methyl(3-methylbutyl)amino]methyl]cycloheptan-1-amine
CID 62610199
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
CID 62615233
N-ethyl-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclohexan-1-amine
CID 62614429
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 63692668
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
2-[[cyclopropyl(propyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 62615562
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107401671

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62611047) is N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)CC1CCCCCC1NCC.
What is the InChIKey of N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is MZEXBBSGIXXNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-12-20(14-13-19(3)4)15-16-10-8-7-9-11-17(16)18-6-2/h16-18H,5-15H2,1-4H3.
What are the key properties of N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62611047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).