1-methyl-7-propan-2-ylidene-1,4-diazepane

C9H18N2 — CID 89210069

IUPAC1-methyl-7-propan-2-ylidene-1,4-diazepane
SMILESCC(C)=C1CCNCCN1C
InChIInChI=1S/C9H18N2/c1-8(2)9-4-5-10-6-7-11(9)3/h10H,4-7H2,1-3H3
InChIKeyXJSPMHUYJVNSJU-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.21
Rot. Bonds

About 1-methyl-7-propan-2-ylidene-1,4-diazepane

1-methyl-7-propan-2-ylidene-1,4-diazepane (PubChem CID 89210069) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methyl-7-propan-2-ylidene-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-7-propan-2-ylidene-1,4-diazepane
PubChem CID89210069
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-methyl-7-propan-2-ylidene-1,4-diazepane
SMILESCC(C)=C1CCNCCN1C
InChIInChI=1S/C9H18N2/c1-8(2)9-4-5-10-6-7-11(9)3/h10H,4-7H2,1-3H3
InChIKeyXJSPMHUYJVNSJU-UHFFFAOYSA-N
XLogP1.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1,5-trimethyl-3,6-dihydro-2H-pyridin-4-amine
CID 54565399
1,6,6-Trimethyl-7-methylidene-1,4-diazepane
CID 57785831
5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine
CID 67589667
5,6-Di(propan-2-ylidene)-1,4-diazepane
CID 90244237
1-Propan-2-yl-2-propan-2-ylidene-1,4-diazepane
CID 90244250
2-Methyl-3-propan-2-ylidene-1,4-diazepane
CID 90244934
12-Methyl-1,4-diazabicyclo[5.5.0]dodeca-7,8,11-triene
CID 122605718
8,12-Dimethyl-1,4-diazabicyclo[5.5.0]dodeca-7,11-diene
CID 124006265
(7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine
CID 126535266
4-N,5-N,1-trimethyl-3,6-dihydro-2H-pyridine-4,5-diamine
CID 129018663
4-(4-Methyl-1,4-diazepan-1-yl)-1,2,3,6-tetrahydropyridin-5-amine
CID 130280001
1-(4-Methylpenta-1,2-dien-3-yl)-1,4-diazepane
CID 135269867

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-ylidene-1,4-diazepane?
The IUPAC name of 1-methyl-7-propan-2-ylidene-1,4-diazepane (CID 89210069) is 1-methyl-7-propan-2-ylidene-1,4-diazepane.
What is the SMILES notation for 1-methyl-7-propan-2-ylidene-1,4-diazepane?
The canonical SMILES for 1-methyl-7-propan-2-ylidene-1,4-diazepane is CC(C)=C1CCNCCN1C.
What is the InChIKey of 1-methyl-7-propan-2-ylidene-1,4-diazepane?
The InChIKey is XJSPMHUYJVNSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)9-4-5-10-6-7-11(9)3/h10H,4-7H2,1-3H3.
What are the key properties of 1-methyl-7-propan-2-ylidene-1,4-diazepane?
1-methyl-7-propan-2-ylidene-1,4-diazepane has a molecular weight of 154.26 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-ylidene-1,4-diazepane is sourced from PubChem (CID 89210069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).