1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine

C13H26N2 — CID 54472087

IUPAC1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine
SMILESCNC(C)NC(C)(C)[C@H]1C=C[C@@H](C)C1C
InChIInChI=1S/C13H26N2/c1-9-7-8-12(10(9)2)13(4,5)15-11(3)14-6/h7-12,14-15H,1-6H3/t9-,10?,11?,12+/m1/s1
InChIKeyMMFRXRXWPGEVJK-YYJSSNLHSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds4

About 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine

1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine (PubChem CID 54472087) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine
PubChem CID54472087
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine
SMILESCNC(C)NC(C)(C)[C@H]1C=C[C@@H](C)C1C
InChIInChI=1S/C13H26N2/c1-9-7-8-12(10(9)2)13(4,5)15-11(3)14-6/h7-12,14-15H,1-6H3/t9-,10?,11?,12+/m1/s1
InChIKeyMMFRXRXWPGEVJK-YYJSSNLHSA-N
XLogP2.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
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'}

Analyze 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine
CID 143831275
4-Methyl-1,2,3,3a,5,7a-hexahydroisoindol-4-amine
CID 19365017
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
1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine
CID 91082347
3-(Cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole
CID 121441041
1-N,1-N'-dimethyl-1-N'-(4-methylcyclohexen-1-yl)ethane-1,1-diamine
CID 123443027
N'-but-3-en-2-yl-N-(2-but-2-enyl-3-ethylhex-4-enyl)methanediamine
CID 123573653
4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine
CID 123588936
N-methyl-1-(2-propan-2-ylcyclopent-3-en-1-yl)ethanamine
CID 123717453
N-butan-2-yl-3-ethyl-5,9-dimethyl-1,2,3,4,5,6,9,10-octahydroazecin-2-amine
CID 124034470

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine?
The IUPAC name of 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine (CID 54472087) is 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine.
What is the SMILES notation for 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine?
The canonical SMILES for 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine is CNC(C)NC(C)(C)[C@H]1C=C[C@@H](C)C1C.
What is the InChIKey of 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine?
The InChIKey is MMFRXRXWPGEVJK-YYJSSNLHSA-N. The full InChI is InChI=1S/C13H26N2/c1-9-7-8-12(10(9)2)13(4,5)15-11(3)14-6/h7-12,14-15H,1-6H3/t9-,10?,11?,12+/m1/s1.
What are the key properties of 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine?
1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine is sourced from PubChem (CID 54472087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).