N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride

C8H22Cl3N3 — CID 166176578

IUPACN'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride
SMILESC=C(CN)CNCCCCN.Cl.Cl.Cl
InChIInChI=1S/C8H19N3.3ClH/c1-8(6-10)7-11-5-3-2-4-9;;;/h11H,1-7,9-10H2;3*1H
InChIKeyUULYAMJKVLUYOH-UHFFFAOYSA-N
MW266.64 g/mol
LogP1.10
Rot. Bonds7

About N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride

N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride (PubChem CID 166176578) has the molecular formula C8H22Cl3N3 and a molecular weight of 266.64 g/mol. Its IUPAC name is N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride.

Molecular Properties

Compound NameN'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride
PubChem CID166176578
Molecular FormulaC8H22Cl3N3
Molecular Weight266.64 g/mol
Exact Mass265.09
IUPAC NameN'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride
SMILESC=C(CN)CNCCCCN.Cl.Cl.Cl
InChIInChI=1S/C8H19N3.3ClH/c1-8(6-10)7-11-5-3-2-4-9;;;/h11H,1-7,9-10H2;3*1H
InChIKeyUULYAMJKVLUYOH-UHFFFAOYSA-N
XLogP1.10
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mdl-72527
CID 3035046
N,N'-Di-2-propenyl-1,3-propanediamine dihydrochloride
CID 87465680
Buta-2,3-dienyl-[4-(buta-2,3-dienylazaniumyl)butyl]azanium dichloride
CID 177842977
N,N'-dibutyl-2-methylidenepropane-1,3-diamine
CID 10608042
1,12-Diamino-2,11-bis(methylidene)-4,9-diazadodecane
CID 129865002
2,11-Bis(methylidene)spermine
CID 129865005
1,8-Diamino-2-(methylidene)-4-azaoctane
CID 166176565
N'-(2-methylprop-2-enyl)propane-1,3-diamine
CID 62331906
N,N'-diethyl-2-methylidenepropane-1,3-diamine
CID 12427675
N-(2-Methyl-2-propen-1-yl)-1-butanamine
CID 14525031
N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine;trihydrochloride
CID 14585918
Trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride
CID 14877280

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride?
The IUPAC name of N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride (CID 166176578) is N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride.
What is the SMILES notation for N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride?
The canonical SMILES for N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride is C=C(CN)CNCCCCN.Cl.Cl.Cl.
What is the InChIKey of N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride?
The InChIKey is UULYAMJKVLUYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.3ClH/c1-8(6-10)7-11-5-3-2-4-9;;;/h11H,1-7,9-10H2;3*1H.
What are the key properties of N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride?
N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride has a molecular weight of 266.64 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine;trihydrochloride is sourced from PubChem (CID 166176578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).