N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C13H29N3 — CID 79565567

IUPACN'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCC1CCCC1N
InChIInChI=1S/C13H29N3/c1-15(2)9-5-10-16(3)11-8-12-6-4-7-13(12)14/h12-13H,4-11,14H2,1-3H3
InChIKeyVVCBXPCFZFJBPA-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds7

About N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 79565567) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID79565567
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCC1CCCC1N
InChIInChI=1S/C13H29N3/c1-15(2)9-5-10-16(3)11-8-12-6-4-7-13(12)14/h12-13H,4-11,14H2,1-3H3
InChIKeyVVCBXPCFZFJBPA-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 79565567) is N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)CCC1CCCC1N.
What is the InChIKey of N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is VVCBXPCFZFJBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-15(2)9-5-10-16(3)11-8-12-6-4-7-13(12)14/h12-13H,4-11,14H2,1-3H3.
What are the key properties of N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79565567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).