(E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine

C14H24N2 — CID 170359425

IUPAC(E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine
SMILESCCC/C(=C\C(=N\C)C1CC1)NC=C(C)C
InChIInChI=1S/C14H24N2/c1-5-6-13(16-10-11(2)3)9-14(15-4)12-7-8-12/h9-10,12,16H,5-8H2,1-4H3/b13-9+,15-14-
InChIKeyOOFHBCZSGMNTKI-WISUYLHISA-N
MW220.36 g/mol
LogP3.66
Rot. Bonds6

About (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine

(E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine (PubChem CID 170359425) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine
PubChem CID170359425
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine
SMILESCCC/C(=C\C(=N\C)C1CC1)NC=C(C)C
InChIInChI=1S/C14H24N2/c1-5-6-13(16-10-11(2)3)9-14(15-4)12-7-8-12/h9-10,12,16H,5-8H2,1-4H3/b13-9+,15-14-
InChIKeyOOFHBCZSGMNTKI-WISUYLHISA-N
XLogP3.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine?
The IUPAC name of (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine (CID 170359425) is (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine.
What is the SMILES notation for (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine?
The canonical SMILES for (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine is CCC/C(=C\C(=N\C)C1CC1)NC=C(C)C.
What is the InChIKey of (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine?
The InChIKey is OOFHBCZSGMNTKI-WISUYLHISA-N. The full InChI is InChI=1S/C14H24N2/c1-5-6-13(16-10-11(2)3)9-14(15-4)12-7-8-12/h9-10,12,16H,5-8H2,1-4H3/b13-9+,15-14-.
What are the key properties of (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine?
(E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine has a molecular weight of 220.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine is sourced from PubChem (CID 170359425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).