N'-(3-aminopropyl)butane-1,4-diamine;methane

C8H23N3 — CID 175217679

IUPACN'-(3-aminopropyl)butane-1,4-diamine;methane
SMILESC.NCCCCNCCCN
InChIInChI=1S/C7H19N3.CH4/c8-4-1-2-6-10-7-3-5-9;/h10H,1-9H2;1H4
InChIKeyDYGZKZYZDHAPLW-UHFFFAOYSA-N
MW161.29 g/mol
LogP0.30
Rot. Bonds7

About N'-(3-aminopropyl)butane-1,4-diamine;methane

N'-(3-aminopropyl)butane-1,4-diamine;methane (PubChem CID 175217679) has the molecular formula C8H23N3 and a molecular weight of 161.29 g/mol. Its IUPAC name is N'-(3-aminopropyl)butane-1,4-diamine;methane.

Molecular Properties

Compound NameN'-(3-aminopropyl)butane-1,4-diamine;methane
PubChem CID175217679
Molecular FormulaC8H23N3
Molecular Weight161.29 g/mol
Exact Mass161.19
IUPAC NameN'-(3-aminopropyl)butane-1,4-diamine;methane
SMILESC.NCCCCNCCCN
InChIInChI=1S/C7H19N3.CH4/c8-4-1-2-6-10-7-3-5-9;/h10H,1-9H2;1H4
InChIKeyDYGZKZYZDHAPLW-UHFFFAOYSA-N
XLogP0.30
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butane-1,4-diamine;methane;N'-methylethane-1,2-diamine
CID 161280061
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[(4-aminobutylamino)methyl]butane-1,4-diamine
CID 166675657
4-(3-aminopropylamino)butan-1-ol
CID 10725491

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)butane-1,4-diamine;methane?
The IUPAC name of N'-(3-aminopropyl)butane-1,4-diamine;methane (CID 175217679) is N'-(3-aminopropyl)butane-1,4-diamine;methane.
What is the SMILES notation for N'-(3-aminopropyl)butane-1,4-diamine;methane?
The canonical SMILES for N'-(3-aminopropyl)butane-1,4-diamine;methane is C.NCCCCNCCCN.
What is the InChIKey of N'-(3-aminopropyl)butane-1,4-diamine;methane?
The InChIKey is DYGZKZYZDHAPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.CH4/c8-4-1-2-6-10-7-3-5-9;/h10H,1-9H2;1H4.
What are the key properties of N'-(3-aminopropyl)butane-1,4-diamine;methane?
N'-(3-aminopropyl)butane-1,4-diamine;methane has a molecular weight of 161.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)butane-1,4-diamine;methane is sourced from PubChem (CID 175217679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).