3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane

C12H24N2 — CID 64871487

IUPAC3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C12H24N2/c1-10(2)14-8-4-7-13-12(3,9-14)11-5-6-11/h10-11,13H,4-9H2,1-3H3
InChIKeyVYTWPHWPJNZIHF-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds2

About 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane

3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane (PubChem CID 64871487) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane
PubChem CID64871487
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C12H24N2/c1-10(2)14-8-4-7-13-12(3,9-14)11-5-6-11/h10-11,13H,4-9H2,1-3H3
InChIKeyVYTWPHWPJNZIHF-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane (CID 64871487) is 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane is CC(C)N1CCCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane?
The InChIKey is VYTWPHWPJNZIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)14-8-4-7-13-12(3,9-14)11-5-6-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane?
3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane has a molecular weight of 196.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 64871487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).