N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine

C13H28N2 — CID 63318245

IUPACN'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H28N2/c1-13(2,3)11-14-9-10-15(4)12-7-5-6-8-12/h12,14H,5-11H2,1-4H3
InChIKeyPILCEKDYNVPNAG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds5

About N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine (PubChem CID 63318245) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
PubChem CID63318245
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H28N2/c1-13(2,3)11-14-9-10-15(4)12-7-5-6-8-12/h12,14H,5-11H2,1-4H3
InChIKeyPILCEKDYNVPNAG-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine (CID 63318245) is N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine is CN(CCNCC(C)(C)C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine?
The InChIKey is PILCEKDYNVPNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13(2,3)11-14-9-10-15(4)12-7-5-6-8-12/h12,14H,5-11H2,1-4H3.
What are the key properties of N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63318245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).