1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane

C13H24N2 — CID 123462135

IUPAC1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane
SMILESCC=CC(=CC)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
InChIKeyUGRCUJBAIAMHNO-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.15
Rot. Bonds3

About 1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane

1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane (PubChem CID 123462135) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane
PubChem CID123462135
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane
SMILESCC=CC(=CC)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
InChIKeyUGRCUJBAIAMHNO-UHFFFAOYSA-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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Related Compounds

1-ethyl-4-[(Z,2E)-2-ethylidenepent-3-enyl]-1,4-diazepane
CID 134365028
1-(2-ethenylbut-2-enyl)-4-methylpiperazine
CID 123509930
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
1-methyl-4-(pyrrolidin-1-ylmethyl)-1,4-diazepane
CID 18541096
1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine
CID 123789556
potassium trifluoro-[3-(4-methyl-1,4-diazepan-1-yl)prop-1-en-2-yl]boranuide
CID 56655995
4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine
CID 126516806
1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine
CID 123499743
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
manganese;2-(11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl)acetic acid;hydrate
CID 59908640
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane?
The IUPAC name of 1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane (CID 123462135) is 1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane?
The canonical SMILES for 1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane is CC=CC(=CC)CN1CCCN(C)CC1.
What is the InChIKey of 1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane?
The InChIKey is UGRCUJBAIAMHNO-UHFFFAOYSA-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.
What are the key properties of 1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane?
1-(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-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane is sourced from PubChem (CID 123462135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).