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

C10H20N2 — CID 142053760

IUPAC1-but-1-en-2-yl-4-methyl-1,4-diazepane
SMILESC=C(CC)N1CCCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-10(2)12-7-5-6-11(3)8-9-12/h2,4-9H2,1,3H3
InChIKeyKKRWVXVBFZZSDL-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.55
Rot. Bonds2

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

1-but-1-en-2-yl-4-methyl-1,4-diazepane (PubChem CID 142053760) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-methyl-1,4-diazepane
PubChem CID142053760
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-but-1-en-2-yl-4-methyl-1,4-diazepane
SMILESC=C(CC)N1CCCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-10(2)12-7-5-6-11(3)8-9-12/h2,4-9H2,1,3H3
InChIKeyKKRWVXVBFZZSDL-UHFFFAOYSA-N
XLogP1.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.55
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?
The IUPAC name of 1-but-1-en-2-yl-4-methyl-1,4-diazepane (CID 142053760) is 1-but-1-en-2-yl-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-but-1-en-2-yl-4-methyl-1,4-diazepane?
The canonical SMILES for 1-but-1-en-2-yl-4-methyl-1,4-diazepane is C=C(CC)N1CCCN(C)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4-methyl-1,4-diazepane?
The InChIKey is KKRWVXVBFZZSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-10(2)12-7-5-6-11(3)8-9-12/h2,4-9H2,1,3H3.
What are the key properties of 1-but-1-en-2-yl-4-methyl-1,4-diazepane?
1-but-1-en-2-yl-4-methyl-1,4-diazepane has a molecular weight of 168.28 g/mol, XLogP of 1.55, 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 is sourced from PubChem (CID 142053760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).