2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C17H37N3 — CID 103188231

IUPAC2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCC1CCCC(CN)(N(CC)C(C)CN(C)C)CC1
InChIInChI=1S/C17H37N3/c1-6-16-9-8-11-17(14-18,12-10-16)20(7-2)15(3)13-19(4)5/h15-16H,6-14,18H2,1-5H3
InChIKeyAOSALPRZGKLKLN-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.95
Rot. Bonds7

About 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103188231) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103188231
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCC1CCCC(CN)(N(CC)C(C)CN(C)C)CC1
InChIInChI=1S/C17H37N3/c1-6-16-9-8-11-17(14-18,12-10-16)20(7-2)15(3)13-19(4)5/h15-16H,6-14,18H2,1-5H3
InChIKeyAOSALPRZGKLKLN-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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Related Compounds

2-N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188191
2-N-[1-(aminomethyl)cyclopropyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 106661407
2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
CID 65088226
N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65088324
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
2-N-[4-(aminomethyl)oxepan-4-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188230
2-N-[1-(aminomethyl)-2-ethylcyclopentyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188193
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188053
1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
CID 65088127
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103188231) is 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCC1CCCC(CN)(N(CC)C(C)CN(C)C)CC1.
What is the InChIKey of 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is AOSALPRZGKLKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-16-9-8-11-17(14-18,12-10-16)20(7-2)15(3)13-19(4)5/h15-16H,6-14,18H2,1-5H3.
What are the key properties of 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-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 2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103188231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).