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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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).