(3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine

C15H23N — CID 91355526

IUPAC(3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine
SMILESC/C=C1/CCC(CC2CC2)=C(C)N=C1CC
InChIInChI=1S/C15H23N/c1-4-13-8-9-14(10-12-6-7-12)11(3)16-15(13)5-2/h4,12H,5-10H2,1-3H3/b13-4-
InChIKeyAMDMGIDGCAJOHR-PQMHYQBVSA-N
MW217.36 g/mol
LogP4.65
Rot. Bonds3

About (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine

(3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine (PubChem CID 91355526) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine.

Molecular Properties

Compound Name(3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine
PubChem CID91355526
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine
SMILESC/C=C1/CCC(CC2CC2)=C(C)N=C1CC
InChIInChI=1S/C15H23N/c1-4-13-8-9-14(10-12-6-7-12)11(3)16-15(13)5-2/h4,12H,5-10H2,1-3H3/b13-4-
InChIKeyAMDMGIDGCAJOHR-PQMHYQBVSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-3-(cyclopropylmethylidene)-N-methyloctan-2-imine
CID 90808860
2,7-di(propan-2-yl)-4,5-dihydro-3H-azepine
CID 91332489
1-Cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine
CID 91503531
9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine
CID 91603246
N,3,7-trimethylcyclohept-2-en-1-imine
CID 123422604
2,4,7-trimethyl-3-(3-methylbutyl)-4,5-dihydro-3H-azepine
CID 129305873
1-cyclopropyl-3,3-dimethyl-2-methylidene-N-(2,4,4-trimethylpent-2-en-3-yl)butan-1-imine
CID 134415011
(2Z)-2-ethylidene-N,5-dimethylcycloheptan-1-imine
CID 146364260
(3Z)-3-ethylidene-4-methyl-N-prop-1-en-2-ylheptan-2-imine
CID 156543160
5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole
CID 163568524
2-[(E)-1-cyclopropylbut-1-enyl]-3,4-dihydropyridine
CID 163646953
4,5-dimethyl-2-[(E)-pent-1-enyl]-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 163943197

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine?
The IUPAC name of (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine (CID 91355526) is (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine.
What is the SMILES notation for (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine?
The canonical SMILES for (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine is C/C=C1/CCC(CC2CC2)=C(C)N=C1CC.
What is the InChIKey of (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine?
The InChIKey is AMDMGIDGCAJOHR-PQMHYQBVSA-N. The full InChI is InChI=1S/C15H23N/c1-4-13-8-9-14(10-12-6-7-12)11(3)16-15(13)5-2/h4,12H,5-10H2,1-3H3/b13-4-.
What are the key properties of (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine?
(3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine has a molecular weight of 217.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(cyclopropylmethyl)-2-ethyl-3-ethylidene-7-methyl-4,5-dihydroazepine is sourced from PubChem (CID 91355526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).