N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C15H32N2 — CID 80692638

IUPACN-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCC(C)(C)C1)C(C)C
InChIInChI=1S/C15H32N2/c1-12(2)17(13(3)4)10-9-16-14-7-8-15(5,6)11-14/h12-14,16H,7-11H2,1-6H3
InChIKeyQIROEIIRIXRQNT-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.27
Rot. Bonds6

About N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 80692638) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID80692638
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCC(C)(C)C1)C(C)C
InChIInChI=1S/C15H32N2/c1-12(2)17(13(3)4)10-9-16-14-7-8-15(5,6)11-14/h12-14,16H,7-11H2,1-6H3
InChIKeyQIROEIIRIXRQNT-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 80692638) is N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNC1CCC(C)(C)C1)C(C)C.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is QIROEIIRIXRQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12(2)17(13(3)4)10-9-16-14-7-8-15(5,6)11-14/h12-14,16H,7-11H2,1-6H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 80692638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).