1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine

C14H28N2 — CID 20647673

IUPAC1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine
SMILESCNC(NC(C)(C)C1CC=CC1)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)12(15-6)16-14(4,5)11-9-7-8-10-11/h7-8,11-12,15-16H,9-10H2,1-6H3
InChIKeyQQGNZSODBJNPQF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.91
Rot. Bonds4

About 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine

1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine (PubChem CID 20647673) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine
PubChem CID20647673
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine
SMILESCNC(NC(C)(C)C1CC=CC1)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)12(15-6)16-14(4,5)11-9-7-8-10-11/h7-8,11-12,15-16H,9-10H2,1-6H3
InChIKeyQQGNZSODBJNPQF-UHFFFAOYSA-N
XLogP2.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-amine
CID 19379784
carbanide;1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine;dichlorozirconium(2+)
CID 20647672
butane;1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine
CID 54472086
6-Ethyl-7-methyl-7-propyl-1,2,5,6-tetrahydroazepin-2-amine
CID 124183212
N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine
CID 126660101
N'-ethyl-N-(3-ethyl-4-methylpentyl)-N'-[(Z)-hept-5-enyl]methanediamine
CID 134423593
N-butyl-4-(3,4-dimethylpent-1-en-3-yl)-N-propyl-2,5-dihydro-1H-pyrrol-2-amine
CID 156242363
(Z)-N-ethyl-N'-(ethylaminomethyl)-6-methyloct-2-ene-1,8-diamine
CID 156424045
(Z,5S)-5-ethyl-N',6-dimethyl-N-(methylaminomethyl)hept-3-ene-1,7-diamine
CID 163933005
3a-Methyl-3-propan-2-yl-1,2,3,6,7,7a-hexahydropyrrolo[2,3-b]pyridine
CID 169982420
N'-propan-2-yl-N-(4-propan-2-ylcyclobut-2-en-1-yl)methanediamine
CID 174307818
1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine
CID 54472087

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine?
The IUPAC name of 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine (CID 20647673) is 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine?
The canonical SMILES for 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine is CNC(NC(C)(C)C1CC=CC1)C(C)(C)C.
What is the InChIKey of 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine?
The InChIKey is QQGNZSODBJNPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)12(15-6)16-14(4,5)11-9-7-8-10-11/h7-8,11-12,15-16H,9-10H2,1-6H3.
What are the key properties of 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine?
1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-cyclopent-3-en-1-ylpropan-2-yl)-1-N,2,2-trimethylpropane-1,1-diamine is sourced from PubChem (CID 20647673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).