N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane

C9H17N — CID 123802407

IUPACN,2-dimethylcyclopenta-1,4-dien-1-amine;ethane
SMILESCC.CNC1=C(C)CC=C1
InChIInChI=1S/C7H11N.C2H6/c1-6-4-3-5-7(6)8-2;1-2/h3,5,8H,4H2,1-2H3;1-2H3
InChIKeyJCDZWZGVZJQUEQ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds1

About N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane

N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane (PubChem CID 123802407) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane.

Molecular Properties

Compound NameN,2-dimethylcyclopenta-1,4-dien-1-amine;ethane
PubChem CID123802407
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,2-dimethylcyclopenta-1,4-dien-1-amine;ethane
SMILESCC.CNC1=C(C)CC=C1
InChIInChI=1S/C7H11N.C2H6/c1-6-4-3-5-7(6)8-2;1-2/h3,5,8H,4H2,1-2H3;1-2H3
InChIKeyJCDZWZGVZJQUEQ-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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trimethyl-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]silane
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1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane?
The IUPAC name of N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane (CID 123802407) is N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane.
What is the SMILES notation for N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane?
The canonical SMILES for N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane is CC.CNC1=C(C)CC=C1.
What is the InChIKey of N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane?
The InChIKey is JCDZWZGVZJQUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-6-4-3-5-7(6)8-2;1-2/h3,5,8H,4H2,1-2H3;1-2H3.
What are the key properties of N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane?
N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane has a molecular weight of 139.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane is sourced from PubChem (CID 123802407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).