1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane

C10H20N2 — CID 176686878

IUPAC1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane
SMILESC/C=C(\C)N1CCCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-10(2)12-7-5-6-11(3)8-9-12/h4H,5-9H2,1-3H3/b10-4+
InChIKeyMQUCHJCRHKYGEQ-ONNFQVAWSA-N
MW168.28 g/mol
LogP1.55
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane

1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane (PubChem CID 176686878) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane
PubChem CID176686878
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane
SMILESC/C=C(\C)N1CCCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-10(2)12-7-5-6-11(3)8-9-12/h4H,5-9H2,1-3H3/b10-4+
InChIKeyMQUCHJCRHKYGEQ-ONNFQVAWSA-N
XLogP1.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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
(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
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
6,7-Dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene
CID 118232211
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'-but-2-en-2-yl-N,N'-diethyl-N-methylethane-1,2-diamine
CID 123780001
(1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine
CID 130436838
N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine
CID 134426653

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane (CID 176686878) is 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane is C/C=C(\C)N1CCCN(C)CC1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane?
The InChIKey is MQUCHJCRHKYGEQ-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-10(2)12-7-5-6-11(3)8-9-12/h4H,5-9H2,1-3H3/b10-4+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane?
1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane has a molecular weight of 168.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane is sourced from PubChem (CID 176686878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).