N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine

C14H28N2 — CID 116674196

IUPACN-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCCC1C=CCC1
InChIInChI=1S/C14H28N2/c1-3-16(4-2)13-7-11-15-12-10-14-8-5-6-9-14/h5,8,14-15H,3-4,6-7,9-13H2,1-2H3
InChIKeyZEFFQRHSZKXMND-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds9

About N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine

N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 116674196) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID116674196
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCCC1C=CCC1
InChIInChI=1S/C14H28N2/c1-3-16(4-2)13-7-11-15-12-10-14-8-5-6-9-14/h5,8,14-15H,3-4,6-7,9-13H2,1-2H3
InChIKeyZEFFQRHSZKXMND-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960501
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
ethane;(3R)-3-ethylcyclopentene
CID 145484001
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine
CID 143839943
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide
CID 55098346
13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide
CID 77488595
(2R)-2-N-(2-cyclopent-2-en-1-ylethyl)propane-1,2-diamine
CID 104892260
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine (CID 116674196) is N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNCCC1C=CCC1.
What is the InChIKey of N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is ZEFFQRHSZKXMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-16(4-2)13-7-11-15-12-10-14-8-5-6-9-14/h5,8,14-15H,3-4,6-7,9-13H2,1-2H3.
What are the key properties of N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine?
N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 116674196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).