1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane

C12H24N2 — CID 153397355

IUPAC1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane
SMILESC=C(C)N1CCCN(C(C)CC)CC1
InChIInChI=1S/C12H24N2/c1-5-12(4)14-8-6-7-13(9-10-14)11(2)3/h12H,2,5-10H2,1,3-4H3
InChIKeyREJXWLUEPGIICY-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.33
Rot. Bonds3

About 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane

1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane (PubChem CID 153397355) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane
PubChem CID153397355
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane
SMILESC=C(C)N1CCCN(C(C)CC)CC1
InChIInChI=1S/C12H24N2/c1-5-12(4)14-8-6-7-13(9-10-14)11(2)3/h12H,2,5-10H2,1,3-4H3
InChIKeyREJXWLUEPGIICY-UHFFFAOYSA-N
XLogP2.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-prop-1-en-2-yl-1,4-diazepane
CID 21366496
3-Methylidene-1-propan-2-yl-1,4-diazepane
CID 57530983
carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium
CID 58531717
(Z)-3-(4-methyl-1,4-diazepan-1-yl)but-2-enenitrile
CID 66607051
3-(4-Methyl-1,4-diazepan-1-yl)but-2-enenitrile
CID 77152514
1-N,1-N,3-N-trimethyl-3-N-[2-[methyl(prop-1-en-2-yl)amino]ethyl]butane-1,3-diamine
CID 89774464
1-Prop-1-en-2-yl-1,4-diazepane
CID 91256412
Carbanide;1-ethyl-4-methyl-5-methylidene-1,4-diazepane;tungsten;vanadium
CID 91866371
Carbanide;4-ethyl-1-methyl-2-methylidene-1,4-diazepane;tungsten;vanadium
CID 91866372
1-Tert-butyl-4-prop-1-en-2-yl-1,4-diazepane
CID 117684773
1,1-Dimethyl-4-prop-1-en-2-yl-1,4-diazepan-1-ium
CID 123557890
(1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine
CID 130436838

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane?
The IUPAC name of 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane (CID 153397355) is 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane.
What is the SMILES notation for 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane?
The canonical SMILES for 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane is C=C(C)N1CCCN(C(C)CC)CC1.
What is the InChIKey of 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane?
The InChIKey is REJXWLUEPGIICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-12(4)14-8-6-7-13(9-10-14)11(2)3/h12H,2,5-10H2,1,3-4H3.
What are the key properties of 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane?
1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane has a molecular weight of 196.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-prop-1-en-2-yl-1,4-diazepane is sourced from PubChem (CID 153397355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).