1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane

C13H24N2 — CID 130183545

IUPAC1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane
SMILESC/C=C\C(=C/C)CN1CCCN(C)CC1
InChIInChI=1S/C13H24N2/c1-4-7-13(5-2)12-15-9-6-8-14(3)10-11-15/h4-5,7H,6,8-12H2,1-3H3/b7-4-,13-5+
InChIKeyUGRCUJBAIAMHNO-ORBVMKRGSA-N
MW208.35 g/mol
LogP2.15
Rot. Bonds3

About 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane

1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane (PubChem CID 130183545) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane
PubChem CID130183545
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane
SMILESC/C=C\C(=C/C)CN1CCCN(C)CC1
InChIInChI=1S/C13H24N2/c1-4-7-13(5-2)12-15-9-6-8-14(3)10-11-15/h4-5,7H,6,8-12H2,1-3H3/b7-4-,13-5+
InChIKeyUGRCUJBAIAMHNO-ORBVMKRGSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane?
The IUPAC name of 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane (CID 130183545) is 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane?
The canonical SMILES for 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane is C/C=C\C(=C/C)CN1CCCN(C)CC1.
What is the InChIKey of 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane?
The InChIKey is UGRCUJBAIAMHNO-ORBVMKRGSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-7-13(5-2)12-15-9-6-8-14(3)10-11-15/h4-5,7H,6,8-12H2,1-3H3/b7-4-,13-5+.
What are the key properties of 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane?
1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane has a molecular weight of 208.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2E)-2-ethylidenepent-3-enyl]-4-methyl-1,4-diazepane is sourced from PubChem (CID 130183545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).