N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine

C12H28N4 — CID 58965169

IUPACN'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine
SMILESC=C(C)NCCCNCCCNCCCN
InChIInChI=1S/C12H28N4/c1-12(2)16-11-5-10-15-9-4-8-14-7-3-6-13/h14-16H,1,3-11,13H2,2H3
InChIKeyHGMHACOIOLLXQH-UHFFFAOYSA-N
MW228.38 g/mol
LogP0.42
Rot. Bonds12

About N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine

N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine (PubChem CID 58965169) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine
PubChem CID58965169
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC NameN'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine
SMILESC=C(C)NCCCNCCCNCCCN
InChIInChI=1S/C12H28N4/c1-12(2)16-11-5-10-15-9-4-8-14-7-3-6-13/h14-16H,1,3-11,13H2,2H3
InChIKeyHGMHACOIOLLXQH-UHFFFAOYSA-N
XLogP0.42
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 50.42
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

2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine
CID 178011043
Methylene-3h]-spermine
CID 129857027
N-prop-1-en-2-ylpropan-1-amine
CID 15394288
N-ethyl-N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine
CID 16047390
N'-prop-1-en-2-ylbutane-1,4-diamine
CID 20647369
N',N'-dimethyl-N-(3-methylbut-1-en-2-yl)propane-1,3-diamine
CID 58200949
N'-prop-1-en-2-ylpropane-1,3-diamine
CID 58325463
N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine
CID 58500440
N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
CID 58965145
N'-but-1-en-2-yl-N-ethylethane-1,2-diamine
CID 59197969
2-methyl-4,5,6,7-tetrahydro-1H-1,4-diazepine
CID 68099659
1-Prop-1-en-2-yl-1,4,7,10-tetrazacyclododecane
CID 69275664

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine (CID 58965169) is N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine is C=C(C)NCCCNCCCNCCCN.
What is the InChIKey of N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine?
The InChIKey is HGMHACOIOLLXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-12(2)16-11-5-10-15-9-4-8-14-7-3-6-13/h14-16H,1,3-11,13H2,2H3.
What are the key properties of N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine?
N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 0.42, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine is sourced from PubChem (CID 58965169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).