(E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine

C16H28N2 — CID 155160499

IUPAC(E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine
SMILESC=C(C)/N=C(C)/C(=C\CC)N(C)C(=C)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-10-11-15(13(4)17-12(2)3)18(9)14(5)16(6,7)8/h11H,2,5,10H2,1,3-4,6-9H3/b15-11+,17-13+
InChIKeyAJSFRDPPKXZRGW-VZOKDOFJSA-N
MW248.41 g/mol
LogP4.77
Rot. Bonds5

About (E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine

(E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine (PubChem CID 155160499) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine.

Molecular Properties

Compound Name(E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine
PubChem CID155160499
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine
SMILESC=C(C)/N=C(C)/C(=C\CC)N(C)C(=C)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-10-11-15(13(4)17-12(2)3)18(9)14(5)16(6,7)8/h11H,2,5,10H2,1,3-4,6-9H3/b15-11+,17-13+
InChIKeyAJSFRDPPKXZRGW-VZOKDOFJSA-N
XLogP4.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
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)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine?
The IUPAC name of (E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine (CID 155160499) is (E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine.
What is the SMILES notation for (E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine?
The canonical SMILES for (E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine is C=C(C)/N=C(C)/C(=C\CC)N(C)C(=C)C(C)(C)C.
What is the InChIKey of (E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine?
The InChIKey is AJSFRDPPKXZRGW-VZOKDOFJSA-N. The full InChI is InChI=1S/C16H28N2/c1-10-11-15(13(4)17-12(2)3)18(9)14(5)16(6,7)8/h11H,2,5,10H2,1,3-4,6-9H3/b15-11+,17-13+.
What are the key properties of (E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine?
(E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine has a molecular weight of 248.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine is sourced from PubChem (CID 155160499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).