N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine

C8H20N4 — CID 22616707

IUPACN'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine
SMILESC=C(NCCCN)NCCCN
InChIInChI=1S/C8H20N4/c1-8(11-6-2-4-9)12-7-3-5-10/h11-12H,1-7,9-10H2
InChIKeyWIMQSBSKQCWJPX-UHFFFAOYSA-N
MW172.28 g/mol
LogP-0.67
Rot. Bonds8

About N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine

N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine (PubChem CID 22616707) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine
PubChem CID22616707
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC NameN'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine
SMILESC=C(NCCCN)NCCCN
InChIInChI=1S/C8H20N4/c1-8(11-6-2-4-9)12-7-3-5-10/h11-12H,1-7,9-10H2
InChIKeyWIMQSBSKQCWJPX-UHFFFAOYSA-N
XLogP-0.67
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
3-aminopropylcarbamic acid
CID 3023499
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine
CID 20651955
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
1-(2-aminoethyl)-3-(3-aminopropyl)urea
CID 154943147
N'-[3-(3-aminopropylamino)propyl]oxamide
CID 71347825
N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
CID 88539843
N-(3-aminopropyl)propanamide
CID 21290277
N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
CID 74764694

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine?
The IUPAC name of N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine (CID 22616707) is N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine is C=C(NCCCN)NCCCN.
What is the InChIKey of N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine?
The InChIKey is WIMQSBSKQCWJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-8(11-6-2-4-9)12-7-3-5-10/h11-12H,1-7,9-10H2.
What are the key properties of N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine?
N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine has a molecular weight of 172.28 g/mol, XLogP of -0.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine is sourced from PubChem (CID 22616707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).