1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane

C12H26N2 — CID 142053759

IUPAC1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane
SMILESC=C(CC)N1CCCN(C)CC1.CC
InChIInChI=1S/C10H20N2.C2H6/c1-4-10(2)12-7-5-6-11(3)8-9-12;1-2/h2,4-9H2,1,3H3;1-2H3
InChIKeyFTULIDQRJOIXDT-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.57
Rot. Bonds2

About 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane

1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane (PubChem CID 142053759) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane
PubChem CID142053759
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane
SMILESC=C(CC)N1CCCN(C)CC1.CC
InChIInChI=1S/C10H20N2.C2H6/c1-4-10(2)12-7-5-6-11(3)8-9-12;1-2/h2,4-9H2,1,3H3;1-2H3
InChIKeyFTULIDQRJOIXDT-UHFFFAOYSA-N
XLogP2.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.57
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
carbanide;N,N-dimethanidylmethanamine;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;yttrium
CID 58531717
5-Methylidene-1-propan-2-yl-1,4-diazepane
CID 59305284
N'-but-1-en-2-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 90253107
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
Carbanide;4-methanidyl-1-methyl-2,7-dimethylidene-1,4-diazepane;tungsten;vanadium;yttrium
CID 91866374
1-Tert-butyl-4-prop-1-en-2-yl-1,4-diazepane
CID 117684773
1-Methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane
CID 123202734
1,1-Dimethyl-4-prop-1-en-2-yl-1,4-diazepan-1-ium
CID 123557890
N,N'-bis(but-1-en-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 126748304
N,N,N'-trimethyl-N'-pent-1-en-2-ylethane-1,2-diamine
CID 129088411

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane?
The IUPAC name of 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane (CID 142053759) is 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane.
What is the SMILES notation for 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane?
The canonical SMILES for 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane is C=C(CC)N1CCCN(C)CC1.CC.
What is the InChIKey of 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane?
The InChIKey is FTULIDQRJOIXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-4-10(2)12-7-5-6-11(3)8-9-12;1-2/h2,4-9H2,1,3H3;1-2H3.
What are the key properties of 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane?
1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane has a molecular weight of 198.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-methyl-1,4-diazepane;ethane is sourced from PubChem (CID 142053759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).