formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine

C8H21N3O — CID 174938120

IUPACformaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine
SMILESC=O.CCCNCCNCCN
InChIInChI=1S/C7H19N3.CH2O/c1-2-4-9-6-7-10-5-3-8;1-2/h9-10H,2-8H2,1H3;1H2
InChIKeyQSPRJLHNKSGXRY-UHFFFAOYSA-N
MW175.28 g/mol
LogP-0.65
Rot. Bonds7

About formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine

formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine (PubChem CID 174938120) has the molecular formula C8H21N3O and a molecular weight of 175.28 g/mol. Its IUPAC name is formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameformaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine
PubChem CID174938120
Molecular FormulaC8H21N3O
Molecular Weight175.28 g/mol
Exact Mass175.17
IUPAC Nameformaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine
SMILESC=O.CCCNCCNCCN
InChIInChI=1S/C7H19N3.CH2O/c1-2-4-9-6-7-10-5-3-8;1-2/h9-10H,2-8H2,1H3;1H2
InChIKeyQSPRJLHNKSGXRY-UHFFFAOYSA-N
XLogP-0.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

azane;N'-propylethane-1,2-diamine
CID 87476258
cyclopropane;N'-propylethane-1,2-diamine
CID 175530712
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
N'-butyl-N-propylethane-1,2-diamine
CID 54806979

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine (CID 174938120) is formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine is C=O.CCCNCCNCCN.
What is the InChIKey of formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
The InChIKey is QSPRJLHNKSGXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.CH2O/c1-2-4-9-6-7-10-5-3-8;1-2/h9-10H,2-8H2,1H3;1H2.
What are the key properties of formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine has a molecular weight of 175.28 g/mol, XLogP of -0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 174938120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).