N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine

C11H28N4 — CID 71344458

IUPACN'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
SMILESCN(CCCN)CCCNCCCCN
InChIInChI=1S/C11H28N4/c1-15(10-4-7-13)11-5-9-14-8-3-2-6-12/h14H,2-13H2,1H3
InChIKeyCBWZICPRYCCBPO-UHFFFAOYSA-N
MW216.37 g/mol
LogP-0.01
Rot. Bonds11

About N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine

N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine (PubChem CID 71344458) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
PubChem CID71344458
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC NameN'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
SMILESCN(CCCN)CCCNCCCCN
InChIInChI=1S/C11H28N4/c1-15(10-4-7-13)11-5-9-14-8-3-2-6-12/h14H,2-13H2,1H3
InChIKeyCBWZICPRYCCBPO-UHFFFAOYSA-N
XLogP-0.01
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen
CID 145215099
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
N'-[5-(2-aminoethylamino)pentyl]-N-methylpentane-1,5-diamine;N'-(2-aminoethyl)-N'-butylethane-1,2-diamine;N'-(2-aminoethyl)-N-methylpentane-1,5-diamine;N'-(3-aminopropyl)-N'-[3-(methylamino)propyl]propane-1,3-diamine;methane;N'-[5-(methylamino)pentyl]pentane-1,5-diamine;N'-[3-[3-(methylamino)propylamino]propyl]propane-1,3-diamine;N'-[3-(methylamino)propyl]propane-1,3-diamine;N'-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine;N'-methylpentane-1,5-diamine
CID 162113138
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'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
N'-(3-aminopropyl)-N'-[3-(dodecylamino)propyl]propane-1,3-diamine
CID 164800746
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine?
The IUPAC name of N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine (CID 71344458) is N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine.
What is the SMILES notation for N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine?
The canonical SMILES for N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine is CN(CCCN)CCCNCCCCN.
What is the InChIKey of N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine?
The InChIKey is CBWZICPRYCCBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4/c1-15(10-4-7-13)11-5-9-14-8-3-2-6-12/h14H,2-13H2,1H3.
What are the key properties of N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine?
N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine has a molecular weight of 216.37 g/mol, XLogP of -0.01, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine is sourced from PubChem (CID 71344458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).