3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane

C15H30N2 — CID 114201405

IUPAC3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane
SMILESCC(C)CC(C)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C15H30N2/c1-12(2)9-13(3)10-17-8-4-7-16-15(11-17)14-5-6-14/h12-16H,4-11H2,1-3H3
InChIKeyUJPROKBFVFEMHN-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds5

About 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane

3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane (PubChem CID 114201405) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane
PubChem CID114201405
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane
SMILESCC(C)CC(C)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C15H30N2/c1-12(2)9-13(3)10-17-8-4-7-16-15(11-17)14-5-6-14/h12-16H,4-11H2,1-3H3
InChIKeyUJPROKBFVFEMHN-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane (CID 114201405) is 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane is CC(C)CC(C)CN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane?
The InChIKey is UJPROKBFVFEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)9-13(3)10-17-8-4-7-16-15(11-17)14-5-6-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane?
3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane has a molecular weight of 238.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane is sourced from PubChem (CID 114201405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).