1-N,1-N'-dipropylpropane-1,1-diamine

C9H22N2 — CID 57129127

IUPAC1-N,1-N'-dipropylpropane-1,1-diamine
SMILESCCCNC(CC)NCCC
InChIInChI=1S/C9H22N2/c1-4-7-10-9(6-3)11-8-5-2/h9-11H,4-8H2,1-3H3
InChIKeyFZOXVWFAXFQTTD-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.72
Rot. Bonds7

About 1-N,1-N'-dipropylpropane-1,1-diamine

1-N,1-N'-dipropylpropane-1,1-diamine (PubChem CID 57129127) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N,1-N'-dipropylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dipropylpropane-1,1-diamine
PubChem CID57129127
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N,1-N'-dipropylpropane-1,1-diamine
SMILESCCCNC(CC)NCCC
InChIInChI=1S/C9H22N2/c1-4-7-10-9(6-3)11-8-5-2/h9-11H,4-8H2,1-3H3
InChIKeyFZOXVWFAXFQTTD-UHFFFAOYSA-N
XLogP1.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dipropylpropane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dipropylpropane-1,1-diamine (CID 57129127) is 1-N,1-N'-dipropylpropane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dipropylpropane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dipropylpropane-1,1-diamine is CCCNC(CC)NCCC.
What is the InChIKey of 1-N,1-N'-dipropylpropane-1,1-diamine?
The InChIKey is FZOXVWFAXFQTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-7-10-9(6-3)11-8-5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-N,1-N'-dipropylpropane-1,1-diamine?
1-N,1-N'-dipropylpropane-1,1-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dipropylpropane-1,1-diamine is sourced from PubChem (CID 57129127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).