N'-[(4-aminobutylamino)methyl]butane-1,4-diamine

C9H24N4 — CID 166675657

IUPACN'-[(4-aminobutylamino)methyl]butane-1,4-diamine
SMILESNCCCCNCNCCCCN
InChIInChI=1S/C9H24N4/c10-5-1-3-7-12-9-13-8-4-2-6-11/h12-13H,1-11H2
InChIKeyLREMYGZQTYNWEI-UHFFFAOYSA-N
MW188.32 g/mol
LogP-0.40
Rot. Bonds10

About N'-[(4-aminobutylamino)methyl]butane-1,4-diamine

N'-[(4-aminobutylamino)methyl]butane-1,4-diamine (PubChem CID 166675657) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is N'-[(4-aminobutylamino)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(4-aminobutylamino)methyl]butane-1,4-diamine
PubChem CID166675657
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC NameN'-[(4-aminobutylamino)methyl]butane-1,4-diamine
SMILESNCCCCNCNCCCCN
InChIInChI=1S/C9H24N4/c10-5-1-3-7-12-9-13-8-4-2-6-11/h12-13H,1-11H2
InChIKeyLREMYGZQTYNWEI-UHFFFAOYSA-N
XLogP-0.40
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butane-1,4-diamine;methane;N'-methylethane-1,2-diamine
CID 161280061
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-pentyltridecane-1,13-diamine
CID 174397381
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496

Frequently Asked Questions

What is the IUPAC name of N'-[(4-aminobutylamino)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(4-aminobutylamino)methyl]butane-1,4-diamine (CID 166675657) is N'-[(4-aminobutylamino)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(4-aminobutylamino)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(4-aminobutylamino)methyl]butane-1,4-diamine is NCCCCNCNCCCCN.
What is the InChIKey of N'-[(4-aminobutylamino)methyl]butane-1,4-diamine?
The InChIKey is LREMYGZQTYNWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4/c10-5-1-3-7-12-9-13-8-4-2-6-11/h12-13H,1-11H2.
What are the key properties of N'-[(4-aminobutylamino)methyl]butane-1,4-diamine?
N'-[(4-aminobutylamino)methyl]butane-1,4-diamine has a molecular weight of 188.32 g/mol, XLogP of -0.40, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-aminobutylamino)methyl]butane-1,4-diamine is sourced from PubChem (CID 166675657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).