1,3-dipropyl-1,4-diazepane

C11H24N2 — CID 64870092

IUPAC1,3-dipropyl-1,4-diazepane
SMILESCCCC1CN(CCC)CCCN1
InChIInChI=1S/C11H24N2/c1-3-6-11-10-13(8-4-2)9-5-7-12-11/h11-12H,3-10H2,1-2H3
InChIKeySOOVPJKJISGLCY-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds4

About 1,3-dipropyl-1,4-diazepane

1,3-dipropyl-1,4-diazepane (PubChem CID 64870092) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1,3-dipropyl-1,4-diazepane.

Molecular Properties

Compound Name1,3-dipropyl-1,4-diazepane
PubChem CID64870092
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1,3-dipropyl-1,4-diazepane
SMILESCCCC1CN(CCC)CCCN1
InChIInChI=1S/C11H24N2/c1-3-6-11-10-13(8-4-2)9-5-7-12-11/h11-12H,3-10H2,1-2H3
InChIKeySOOVPJKJISGLCY-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-1,4-Diazepine, hexahydro-1,2,2,7,7-pentamethyl-
CID 30155
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
1-(1-Ethylpiperidin-4-yl)-1,4-diazepane
CID 61057953
N-(3-Azepanyl)-N-methylamine
CID 2756577
1-Butyl-1,4-diazepane
CID 2757270
5,7-Dimethyl-1,4-diazepane
CID 6396094
(2-(Cyclopentylamino)ethyl)dimethylamine
CID 6486624
1,5-Dimethyl-1,4-diazepane
CID 10441718
1-(Propan-2-yl)-1,4-diazepane
CID 12236513
1-Propyl-1,4-diazepane
CID 12261797
1,3-Dimethyl-1,4-diazepane
CID 12438048
1,4-Dimethyl-1,4-diazepan-6-amine
CID 14999039

Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-1,4-diazepane?
The IUPAC name of 1,3-dipropyl-1,4-diazepane (CID 64870092) is 1,3-dipropyl-1,4-diazepane.
What is the SMILES notation for 1,3-dipropyl-1,4-diazepane?
The canonical SMILES for 1,3-dipropyl-1,4-diazepane is CCCC1CN(CCC)CCCN1.
What is the InChIKey of 1,3-dipropyl-1,4-diazepane?
The InChIKey is SOOVPJKJISGLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-6-11-10-13(8-4-2)9-5-7-12-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,3-dipropyl-1,4-diazepane?
1,3-dipropyl-1,4-diazepane has a molecular weight of 184.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-1,4-diazepane is sourced from PubChem (CID 64870092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).