N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine

C15H32N2 — CID 55248488

IUPACN'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCCC(C)(C)C)CC1CCCC1
InChIInChI=1S/C15H32N2/c1-15(2,3)9-10-16-11-12-17(4)13-14-7-5-6-8-14/h14,16H,5-13H2,1-4H3
InChIKeyLYHVVJAEQZZPJF-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds7

About N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine

N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine (PubChem CID 55248488) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
PubChem CID55248488
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCCC(C)(C)C)CC1CCCC1
InChIInChI=1S/C15H32N2/c1-15(2,3)9-10-16-11-12-17(4)13-14-7-5-6-8-14/h14,16H,5-13H2,1-4H3
InChIKeyLYHVVJAEQZZPJF-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 63655720
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N-[2-(cyclopentylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 63120002
N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62558621
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
4-[[3,3-dimethylbutyl(methyl)amino]methyl]cyclohexan-1-ol
CID 115239935

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine (CID 55248488) is N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine is CN(CCNCCC(C)(C)C)CC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine?
The InChIKey is LYHVVJAEQZZPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-15(2,3)9-10-16-11-12-17(4)13-14-7-5-6-8-14/h14,16H,5-13H2,1-4H3.
What are the key properties of N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine?
N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55248488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).