2-methyl-3-propan-2-ylidene-1,4-diazepane

C9H18N2 — CID 90244934

IUPAC2-methyl-3-propan-2-ylidene-1,4-diazepane
SMILESCC(C)=C1NCCCNC1C
InChIInChI=1S/C9H18N2/c1-7(2)9-8(3)10-5-4-6-11-9/h8,10-11H,4-6H2,1-3H3
InChIKeyFACSEAILAKFVRN-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.25
Rot. Bonds

About 2-methyl-3-propan-2-ylidene-1,4-diazepane

2-methyl-3-propan-2-ylidene-1,4-diazepane (PubChem CID 90244934) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylidene-1,4-diazepane.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylidene-1,4-diazepane
PubChem CID90244934
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-3-propan-2-ylidene-1,4-diazepane
SMILESCC(C)=C1NCCCNC1C
InChIInChI=1S/C9H18N2/c1-7(2)9-8(3)10-5-4-6-11-9/h8,10-11H,4-6H2,1-3H3
InChIKeyFACSEAILAKFVRN-UHFFFAOYSA-N
XLogP1.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylidene-1,4-diazepane?
The IUPAC name of 2-methyl-3-propan-2-ylidene-1,4-diazepane (CID 90244934) is 2-methyl-3-propan-2-ylidene-1,4-diazepane.
What is the SMILES notation for 2-methyl-3-propan-2-ylidene-1,4-diazepane?
The canonical SMILES for 2-methyl-3-propan-2-ylidene-1,4-diazepane is CC(C)=C1NCCCNC1C.
What is the InChIKey of 2-methyl-3-propan-2-ylidene-1,4-diazepane?
The InChIKey is FACSEAILAKFVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)9-8(3)10-5-4-6-11-9/h8,10-11H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylidene-1,4-diazepane?
2-methyl-3-propan-2-ylidene-1,4-diazepane has a molecular weight of 154.26 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylidene-1,4-diazepane is sourced from PubChem (CID 90244934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).