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

C8H19N3 — CID 166176565

IUPACN'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CN)CNCCCCN
InChIInChI=1S/C8H19N3/c1-8(6-10)7-11-5-3-2-4-9/h11H,1-7,9-10H2
InChIKeyZXLUCMBEYVETLP-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.17
Rot. Bonds7

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

N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine (PubChem CID 166176565) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine
PubChem CID166176565
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CN)CNCCCCN
InChIInChI=1S/C8H19N3/c1-8(6-10)7-11-5-3-2-4-9/h11H,1-7,9-10H2
InChIKeyZXLUCMBEYVETLP-UHFFFAOYSA-N
XLogP-0.17
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.17
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

Mdl72527
CID 4026
N*1*-Buta-2,3-dienyl-butane-1,4-diamine
CID 13561211
N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine
CID 45271264
Buta-2,3-dienyl-[3-(3-buta-2,3-dienylamino-propylamino)-propyl]-amine
CID 14585917
N,N'-Di-2-propenyl-1,3-propanediamine
CID 10630734
N,N'-diallyl-1,4-diaminobutane
CID 13483151
N,N'-dibutyl-2-methylidenepropane-1,3-diamine
CID 10608042
11-Methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane
CID 13677181
N-prenylputrescin
CID 102249184
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 trihydrochloride
CID 166176578

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine?
The IUPAC name of N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine (CID 166176565) is N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine is C=C(CN)CNCCCCN.
What is the InChIKey of N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine?
The InChIKey is ZXLUCMBEYVETLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-8(6-10)7-11-5-3-2-4-9/h11H,1-7,9-10H2.
What are the key properties of N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine?
N'-(4-aminobutyl)-2-methylidenepropane-1,3-diamine has a molecular weight of 157.26 g/mol, XLogP of -0.17, 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 is sourced from PubChem (CID 166176565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).