(3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene

C15H27N — CID 142834097

IUPAC(3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene
SMILESC/C=C\C=C1\CCCCNC1.C=C(C)CC
InChIInChI=1S/C10H17N.C5H10/c1-2-3-6-10-7-4-5-8-11-9-10;1-4-5(2)3/h2-3,6,11H,4-5,7-9H2,1H3;2,4H2,1,3H3/b3-2-,10-6-;
InChIKeyXCEWKSUIZKOFHO-VKPVDJRPSA-N
MW221.39 g/mol
LogP4.23
Rot. Bonds2

About (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene

(3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene (PubChem CID 142834097) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene
PubChem CID142834097
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene
SMILESC/C=C\C=C1\CCCCNC1.C=C(C)CC
InChIInChI=1S/C10H17N.C5H10/c1-2-3-6-10-7-4-5-8-11-9-10;1-4-5(2)3/h2-3,6,11H,4-5,7-9H2,1H3;2,4H2,1,3H3/b3-2-,10-6-;
InChIKeyXCEWKSUIZKOFHO-VKPVDJRPSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene (CID 142834097) is (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene is C/C=C\C=C1\CCCCNC1.C=C(C)CC.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene?
The InChIKey is XCEWKSUIZKOFHO-VKPVDJRPSA-N. The full InChI is InChI=1S/C10H17N.C5H10/c1-2-3-6-10-7-4-5-8-11-9-10;1-4-5(2)3/h2-3,6,11H,4-5,7-9H2,1H3;2,4H2,1,3H3/b3-2-,10-6-;.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene?
(3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene has a molecular weight of 221.39 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene is sourced from PubChem (CID 142834097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).