3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane

C15H28N2 — CID 64951209

IUPAC3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane
SMILESCC(CC1CC1)N1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C15H28N2/c1-12(10-13-4-5-13)17-9-3-8-16-15(2,11-17)14-6-7-14/h12-14,16H,3-11H2,1-2H3
InChIKeyQYFROUDWIXPHSW-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.64
Rot. Bonds4

About 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane

3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane (PubChem CID 64951209) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane
PubChem CID64951209
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane
SMILESCC(CC1CC1)N1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C15H28N2/c1-12(10-13-4-5-13)17-9-3-8-16-15(2,11-17)14-6-7-14/h12-14,16H,3-11H2,1-2H3
InChIKeyQYFROUDWIXPHSW-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane (CID 64951209) is 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane is CC(CC1CC1)N1CCCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane?
The InChIKey is QYFROUDWIXPHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12(10-13-4-5-13)17-9-3-8-16-15(2,11-17)14-6-7-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane?
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane has a molecular weight of 236.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 64951209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).