1-propan-2-yldiazepane

C8H18N2 — CID 57154820

IUPAC1-propan-2-yldiazepane
SMILESCC(C)N1CCCCCN1
InChIInChI=1S/C8H18N2/c1-8(2)10-7-5-3-4-6-9-10/h8-9H,3-7H2,1-2H3
InChIKeyNFCLTKURMURIMC-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.39
Rot. Bonds1

About 1-propan-2-yldiazepane

1-propan-2-yldiazepane (PubChem CID 57154820) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-propan-2-yldiazepane.

Molecular Properties

Compound Name1-propan-2-yldiazepane
PubChem CID57154820
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-propan-2-yldiazepane
SMILESCC(C)N1CCCCCN1
InChIInChI=1S/C8H18N2/c1-8(2)10-7-5-3-4-6-9-10/h8-9H,3-7H2,1-2H3
InChIKeyNFCLTKURMURIMC-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yldiazepane?
The IUPAC name of 1-propan-2-yldiazepane (CID 57154820) is 1-propan-2-yldiazepane.
What is the SMILES notation for 1-propan-2-yldiazepane?
The canonical SMILES for 1-propan-2-yldiazepane is CC(C)N1CCCCCN1.
What is the InChIKey of 1-propan-2-yldiazepane?
The InChIKey is NFCLTKURMURIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2)10-7-5-3-4-6-9-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-propan-2-yldiazepane?
1-propan-2-yldiazepane has a molecular weight of 142.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yldiazepane is sourced from PubChem (CID 57154820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).