1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane

C12H24N2 — CID 123202734

IUPAC1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane
SMILESCC=C(C(C)C)N1CCCN(C)CC1
InChIInChI=1S/C12H24N2/c1-5-12(11(2)3)14-8-6-7-13(4)9-10-14/h5,11H,6-10H2,1-4H3
InChIKeyNLFIYWMITGUULP-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.18
Rot. Bonds2

About 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane

1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane (PubChem CID 123202734) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane
PubChem CID123202734
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane
SMILESCC=C(C(C)C)N1CCCN(C)CC1
InChIInChI=1S/C12H24N2/c1-5-12(11(2)3)14-8-6-7-13(4)9-10-14/h5,11H,6-10H2,1-4H3
InChIKeyNLFIYWMITGUULP-UHFFFAOYSA-N
XLogP2.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 144497301
1-Methyl-4-(4-methylpent-2-en-3-yl)piperazine
CID 123951834
N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine
CID 134426653
1-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-2-yl]-4-methyl-1,4-diazepane
CID 137401337
1-But-1-en-2-yl-4-methyl-1,4-diazepane;ethane
CID 142053759
ethane;1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-methyl-1,4-diazepane;methane
CID 143054400
3,6-Dimethyl-3,6-diazabicyclo[3.2.1]oct-5(8)-ene
CID 156220780
1-methyl-4-[(E)-6-methylhept-3-en-3-yl]-1,4-diazepane
CID 164062199
1-methyl-4-[(9Z)-7-methylundeca-2,5,6,9-tetraen-2-yl]-1,4-diazepane
CID 173817614
1-methyl-4-[(4E)-octa-1,4-dien-4-yl]-1,4-diazepane
CID 174283755
1-[(E)-but-2-en-2-yl]-4-methyl-1,4-diazepane
CID 176686878
1-Ethyl-4-methyl-5-methylidene-1,4-diazepane
CID 60056679

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane (CID 123202734) is 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane is CC=C(C(C)C)N1CCCN(C)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane?
The InChIKey is NLFIYWMITGUULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-12(11(2)3)14-8-6-7-13(4)9-10-14/h5,11H,6-10H2,1-4H3.
What are the key properties of 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane?
1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane has a molecular weight of 196.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpent-2-en-3-yl)-1,4-diazepane is sourced from PubChem (CID 123202734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).