N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine

C14H30N2 — CID 80692444

IUPACN'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-13(2)8-7-12(9-13)15-10-14(3,4)11-16(5)6/h12,15H,7-11H2,1-6H3
InChIKeyAIZVSUWVRGFIAB-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds5

About N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine

N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 80692444) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID80692444
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-13(2)8-7-12(9-13)15-10-14(3,4)11-16(5)6/h12,15H,7-11H2,1-6H3
InChIKeyAIZVSUWVRGFIAB-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
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,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 80692444) is N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNC1CCC(C)(C)C1.
What is the InChIKey of N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is AIZVSUWVRGFIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2)8-7-12(9-13)15-10-14(3,4)11-16(5)6/h12,15H,7-11H2,1-6H3.
What are the key properties of N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 5 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,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 80692444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).