N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C13H26N2 — CID 106169973

IUPACN'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCC1=CCCC1
InChIInChI=1S/C13H26N2/c1-11(2)13(9-14)10-15-8-7-12-5-3-4-6-12/h5,11,13,15H,3-4,6-10,14H2,1-2H3
InChIKeyNJJUWLGXIQNBAM-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.31
Rot. Bonds7

About N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 106169973) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID106169973
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCC1=CCCC1
InChIInChI=1S/C13H26N2/c1-11(2)13(9-14)10-15-8-7-12-5-3-4-6-12/h5,11,13,15H,3-4,6-10,14H2,1-2H3
InChIKeyNJJUWLGXIQNBAM-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
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-(cyclohexen-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441126
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
CID 106173796
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol
CID 114153912
N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106173196
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol
CID 106174226
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 106169973) is N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNCCC1=CCCC1.
What is the InChIKey of N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is NJJUWLGXIQNBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)13(9-14)10-15-8-7-12-5-3-4-6-12/h5,11,13,15H,3-4,6-10,14H2,1-2H3.
What are the key properties of N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106169973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).