azane;N',N'-diethylpropane-1,3-diamine

C7H21N3 — CID 19995440

IUPACazane;N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN.N
InChIInChI=1S/C7H18N2.H3N/c1-3-9(4-2)7-5-6-8;/h3-8H2,1-2H3;1H3
InChIKeyPWXSMHJGYTYFHW-UHFFFAOYSA-N
MW147.27 g/mol
LogP0.84
Rot. Bonds5

About azane;N',N'-diethylpropane-1,3-diamine

azane;N',N'-diethylpropane-1,3-diamine (PubChem CID 19995440) has the molecular formula C7H21N3 and a molecular weight of 147.27 g/mol. Its IUPAC name is azane;N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Nameazane;N',N'-diethylpropane-1,3-diamine
PubChem CID19995440
Molecular FormulaC7H21N3
Molecular Weight147.27 g/mol
Exact Mass147.17
IUPAC Nameazane;N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN.N
InChIInChI=1S/C7H18N2.H3N/c1-3-9(4-2)7-5-6-8;/h3-8H2,1-2H3;1H3
InChIKeyPWXSMHJGYTYFHW-UHFFFAOYSA-N
XLogP0.84
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;N',N'-diethylpropane-1,3-diamine?
The IUPAC name of azane;N',N'-diethylpropane-1,3-diamine (CID 19995440) is azane;N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for azane;N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for azane;N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCN.N.
What is the InChIKey of azane;N',N'-diethylpropane-1,3-diamine?
The InChIKey is PWXSMHJGYTYFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.H3N/c1-3-9(4-2)7-5-6-8;/h3-8H2,1-2H3;1H3.
What are the key properties of azane;N',N'-diethylpropane-1,3-diamine?
azane;N',N'-diethylpropane-1,3-diamine has a molecular weight of 147.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 19995440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).