2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine

C11H18N2 — CID 139527375

IUPAC2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine
SMILESC=C1CCCN=C(C2CCCC2)N1
InChIInChI=1S/C11H18N2/c1-9-5-4-8-12-11(13-9)10-6-2-3-7-10/h10H,1-8H2,(H,12,13)
InChIKeyYVNMOEWCIVSIOM-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.47
Rot. Bonds1

About 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine

2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine (PubChem CID 139527375) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine.

Molecular Properties

Compound Name2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine
PubChem CID139527375
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine
SMILESC=C1CCCN=C(C2CCCC2)N1
InChIInChI=1S/C11H18N2/c1-9-5-4-8-12-11(13-9)10-6-2-3-7-10/h10H,1-8H2,(H,12,13)
InChIKeyYVNMOEWCIVSIOM-UHFFFAOYSA-N
XLogP2.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N-(3-methylhex-1-en-2-yl)ethanimidamide
CID 132095778
N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide
CID 166889961
5-cyclopentyl-N-methyl-1,3-dihydropyrrol-2-imine
CID 143756815

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine?
The IUPAC name of 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine (CID 139527375) is 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine.
What is the SMILES notation for 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine?
The canonical SMILES for 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine is C=C1CCCN=C(C2CCCC2)N1.
What is the InChIKey of 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine?
The InChIKey is YVNMOEWCIVSIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-5-4-8-12-11(13-9)10-6-2-3-7-10/h10H,1-8H2,(H,12,13).
What are the key properties of 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine?
2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine has a molecular weight of 178.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine is sourced from PubChem (CID 139527375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).