N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine

C14H28N2 — CID 116651578

IUPACN-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(CC1CCCCCC1)C(CN)C1CC1
InChIInChI=1S/C14H28N2/c1-16(14(10-15)13-8-9-13)11-12-6-4-2-3-5-7-12/h12-14H,2-11,15H2,1H3
InChIKeyLXVGIBFEQFXBFK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.63
Rot. Bonds5

About N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine

N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116651578) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116651578
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(CC1CCCCCC1)C(CN)C1CC1
InChIInChI=1S/C14H28N2/c1-16(14(10-15)13-8-9-13)11-12-6-4-2-3-5-7-12/h12-14H,2-11,15H2,1H3
InChIKeyLXVGIBFEQFXBFK-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9167342
N'-[(4-aminocycloheptyl)methyl]-N-ethylpropane-1,3-diamine
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N'-[[(1R,4S)-4-aminocycloheptyl]methyl]-N-ethyl-propane-1,3-diamine
CID 487178
1-(aminomethyl)-N-ethylcycloheptan-1-amine
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1-(aminomethyl)-N,N-diethylcycloheptan-1-amine
CID 21027192
[1-(1-Cycloheptylethyl)pyrrolidin-2-yl]methanamine
CID 21268525
N',N'-dimethyl-N-(2-methylheptan-3-yl)ethane-1,2-diamine
CID 23468042
1-Cycloheptylmethyl-2-aminomethylpyrrolidine
CID 54234427
1-(2-methylcyclopropyl)-N'-propan-2-ylethane-1,2-diamine
CID 57898413
N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine
CID 58472111
(2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine
CID 58598112

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116651578) is N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine is CN(CC1CCCCCC1)C(CN)C1CC1.
What is the InChIKey of N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is LXVGIBFEQFXBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-16(14(10-15)13-8-9-13)11-12-6-4-2-3-5-7-12/h12-14H,2-11,15H2,1H3.
What are the key properties of N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).