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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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).