(E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine

C17H29N — CID 173496364

IUPAC(E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine
SMILESC/C=C(/CC)C(N/C(C)=C(\C)CCC)=C1CCC1
InChIInChI=1S/C17H29N/c1-6-10-13(4)14(5)18-17(15(7-2)8-3)16-11-9-12-16/h7,18H,6,8-12H2,1-5H3/b14-13+,15-7-
InChIKeySMCQAFZOWCSHBL-ORWQUVBTSA-N
MW247.43 g/mol
LogP5.46
Rot. Bonds6

About (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine

(E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine (PubChem CID 173496364) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine
PubChem CID173496364
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine
SMILESC/C=C(/CC)C(N/C(C)=C(\C)CCC)=C1CCC1
InChIInChI=1S/C17H29N/c1-6-10-13(4)14(5)18-17(15(7-2)8-3)16-11-9-12-16/h7,18H,6,8-12H2,1-5H3/b14-13+,15-7-
InChIKeySMCQAFZOWCSHBL-ORWQUVBTSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
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3,5-dimethylocta-2,4-dien-4-ylcyclopropane
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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine?
The IUPAC name of (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine (CID 173496364) is (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine.
What is the SMILES notation for (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine?
The canonical SMILES for (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine is C/C=C(/CC)C(N/C(C)=C(\C)CCC)=C1CCC1.
What is the InChIKey of (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine?
The InChIKey is SMCQAFZOWCSHBL-ORWQUVBTSA-N. The full InChI is InChI=1S/C17H29N/c1-6-10-13(4)14(5)18-17(15(7-2)8-3)16-11-9-12-16/h7,18H,6,8-12H2,1-5H3/b14-13+,15-7-.
What are the key properties of (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine?
(E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine has a molecular weight of 247.43 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-1-cyclobutylidene-2-ethylbut-2-enyl]-3-methylhex-2-en-2-amine is sourced from PubChem (CID 173496364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).