1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane

C14H24N2 — CID 141126783

IUPAC1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCCN(C2=CC=CCC2)CC1
InChIInChI=1S/C14H24N2/c1-13(2)15-9-6-10-16(12-11-15)14-7-4-3-5-8-14/h3-4,7,13H,5-6,8-12H2,1-2H3
InChIKeyWUBGXWXUFGMBNO-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.64
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane

1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane (PubChem CID 141126783) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane
PubChem CID141126783
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCCN(C2=CC=CCC2)CC1
InChIInChI=1S/C14H24N2/c1-13(2)15-9-6-10-16(12-11-15)14-7-4-3-5-8-14/h3-4,7,13H,5-6,8-12H2,1-2H3
InChIKeyWUBGXWXUFGMBNO-UHFFFAOYSA-N
XLogP2.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-4,14-dimethyl-7,11-diazatricyclo[9.4.0.02,7]pentadeca-3,5,12,14-tetraene
CID 21605810
N-cyclohexa-1,5-dien-1-yl-N'-ethyl-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 68344028
4-butan-2-yl-1,1-dimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazin-1-ium
CID 123143705
1-(4-Methylcyclohexa-1,5-dien-1-yl)-4-sulfanyl-1,4-diazepane
CID 123713461
1-Cyclohexa-1,3-dien-1-yl-4-methyl-1,4-diazepane
CID 129125449
4-N,4-N,14-N,14-N-tetramethyl-7,11-diazatricyclo[9.4.0.02,7]pentadeca-3,5,12,14-tetraene-4,14-diamine
CID 132155265
1-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-2-yl]-4-methyl-1,4-diazepane
CID 137401337
(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
CID 141079612
(3R)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
CID 141086222
2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 141086267
(2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine
CID 141126800
N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine
CID 141153211

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane (CID 141126783) is 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane is CC(C)N1CCCN(C2=CC=CCC2)CC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane?
The InChIKey is WUBGXWXUFGMBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-13(2)15-9-6-10-16(12-11-15)14-7-4-3-5-8-14/h3-4,7,13H,5-6,8-12H2,1-2H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane?
1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane has a molecular weight of 220.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 141126783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).