1-N'-propylpropane-1,1-diamine

C6H16N2 — CID 22184084

IUPAC1-N'-propylpropane-1,1-diamine
SMILESCCCNC(N)CC
InChIInChI=1S/C6H16N2/c1-3-5-8-6(7)4-2/h6,8H,3-5,7H2,1-2H3
InChIKeyFGQHWPDETGVZAC-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.68
Rot. Bonds4

About 1-N'-propylpropane-1,1-diamine

1-N'-propylpropane-1,1-diamine (PubChem CID 22184084) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 1-N'-propylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-propylpropane-1,1-diamine
PubChem CID22184084
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name1-N'-propylpropane-1,1-diamine
SMILESCCCNC(N)CC
InChIInChI=1S/C6H16N2/c1-3-5-8-6(7)4-2/h6,8H,3-5,7H2,1-2H3
InChIKeyFGQHWPDETGVZAC-UHFFFAOYSA-N
XLogP0.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.68
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'-propylpropane-1,1-diamine?
The IUPAC name of 1-N'-propylpropane-1,1-diamine (CID 22184084) is 1-N'-propylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-propylpropane-1,1-diamine?
The canonical SMILES for 1-N'-propylpropane-1,1-diamine is CCCNC(N)CC.
What is the InChIKey of 1-N'-propylpropane-1,1-diamine?
The InChIKey is FGQHWPDETGVZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-3-5-8-6(7)4-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-N'-propylpropane-1,1-diamine?
1-N'-propylpropane-1,1-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-propylpropane-1,1-diamine is sourced from PubChem (CID 22184084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).