(E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine

C14H23N — CID 146618887

IUPAC(E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine
SMILESC=C(/C=C(/N)C1=C(C)CCC1)C(C)(C)C
InChIInChI=1S/C14H23N/c1-10-7-6-8-12(10)13(15)9-11(2)14(3,4)5/h9H,2,6-8,15H2,1,3-5H3/b13-9+
InChIKeyJGFCJHVJQOALSD-UKTHLTGXSA-N
MW205.34 g/mol
LogP3.93
Rot. Bonds2

About (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine

(E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine (PubChem CID 146618887) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine.

Molecular Properties

Compound Name(E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine
PubChem CID146618887
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine
SMILESC=C(/C=C(/N)C1=C(C)CCC1)C(C)(C)C
InChIInChI=1S/C14H23N/c1-10-7-6-8-12(10)13(15)9-11(2)14(3,4)5/h9H,2,6-8,15H2,1,3-5H3/b13-9+
InChIKeyJGFCJHVJQOALSD-UKTHLTGXSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine?
The IUPAC name of (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine (CID 146618887) is (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine.
What is the SMILES notation for (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine?
The canonical SMILES for (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine is C=C(/C=C(/N)C1=C(C)CCC1)C(C)(C)C.
What is the InChIKey of (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine?
The InChIKey is JGFCJHVJQOALSD-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H23N/c1-10-7-6-8-12(10)13(15)9-11(2)14(3,4)5/h9H,2,6-8,15H2,1,3-5H3/b13-9+.
What are the key properties of (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine?
(E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine is sourced from PubChem (CID 146618887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).