N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine

C13H26N2 — CID 106547137

IUPACN'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
SMILESCC(C)=CCNCCN(C)C1CCCC1
InChIInChI=1S/C13H26N2/c1-12(2)8-9-14-10-11-15(3)13-6-4-5-7-13/h8,13-14H,4-7,9-11H2,1-3H3
InChIKeyVCPREFKHNRGJNW-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.42
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine (PubChem CID 106547137) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
PubChem CID106547137
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
SMILESCC(C)=CCNCCN(C)C1CCCC1
InChIInChI=1S/C13H26N2/c1-12(2)8-9-14-10-11-15(3)13-6-4-5-7-13/h8,13-14H,4-7,9-11H2,1-3H3
InChIKeyVCPREFKHNRGJNW-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylbut-2-enoate
CID 103240517
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate
CID 80547894
N-methyl-N-(3-methylbut-2-enyl)cyclobutanamine
CID 126994828
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N-[(E)-4-chlorobut-2-enyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 81430248
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine
CID 62556852
1-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]cycloheptan-1-ol
CID 63318215
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine (CID 106547137) is N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine is CC(C)=CCNCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine?
The InChIKey is VCPREFKHNRGJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)8-9-14-10-11-15(3)13-6-4-5-7-13/h8,13-14H,4-7,9-11H2,1-3H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 106547137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).