N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C18H39N3 — CID 65088324

IUPACN'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCC1CCCC(CN)(N(CCN(C)C)CC(C)C)CC1
InChIInChI=1S/C18H39N3/c1-6-17-8-7-10-18(15-19,11-9-17)21(14-16(2)3)13-12-20(4)5/h16-17H,6-15,19H2,1-5H3
InChIKeyUDLQXGLNBLOAGW-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.19
Rot. Bonds8

About N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65088324) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65088324
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC NameN'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCC1CCCC(CN)(N(CCN(C)C)CC(C)C)CC1
InChIInChI=1S/C18H39N3/c1-6-17-8-7-10-18(15-19,11-9-17)21(14-16(2)3)13-12-20(4)5/h16-17H,6-15,19H2,1-5H3
InChIKeyUDLQXGLNBLOAGW-UHFFFAOYSA-N
XLogP3.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-ethyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 54986983
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188231
N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65074890
N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65089094
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
CID 65088226
1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82926451
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N-ethyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine
CID 63471543
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
1-(aminomethyl)-N-ethyl-N,3-bis(2-methylpropyl)cyclohexan-1-amine
CID 107428924

Frequently Asked Questions

What is the IUPAC name of N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 65088324) is N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCC1CCCC(CN)(N(CCN(C)C)CC(C)C)CC1.
What is the InChIKey of N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is UDLQXGLNBLOAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-6-17-8-7-10-18(15-19,11-9-17)21(14-16(2)3)13-12-20(4)5/h16-17H,6-15,19H2,1-5H3.
What are the key properties of N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65088324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).