N',N'-bis(1-aminopropyl)butane-1,4-diamine

C10H26N4 — CID 87162355

IUPACN',N'-bis(1-aminopropyl)butane-1,4-diamine
SMILESCCC(N)N(CCCCN)C(N)CC
InChIInChI=1S/C10H26N4/c1-3-9(12)14(10(13)4-2)8-6-5-7-11/h9-10H,3-8,11-13H2,1-2H3
InChIKeyZECIPTDGKTVAHP-UHFFFAOYSA-N
MW202.35 g/mol
LogP0.42
Rot. Bonds8

About N',N'-bis(1-aminopropyl)butane-1,4-diamine

N',N'-bis(1-aminopropyl)butane-1,4-diamine (PubChem CID 87162355) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is N',N'-bis(1-aminopropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-bis(1-aminopropyl)butane-1,4-diamine
PubChem CID87162355
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC NameN',N'-bis(1-aminopropyl)butane-1,4-diamine
SMILESCCC(N)N(CCCCN)C(N)CC
InChIInChI=1S/C10H26N4/c1-3-9(12)14(10(13)4-2)8-6-5-7-11/h9-10H,3-8,11-13H2,1-2H3
InChIKeyZECIPTDGKTVAHP-UHFFFAOYSA-N
XLogP0.42
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 50.42
H-Bond Donors ≤ 53
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',N'-bis(1-aminoethyl)butane-1,4-diamine
CID 87162655
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine
CID 22987584
N'-butan-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 43137443
N',N'-bis[1-(methylamino)propyl]octane-1,8-diamine;tetrahydrochloride
CID 19030158
1-[4-aminobutyl(1-hydroxyethyl)amino]ethanol
CID 57194430
1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
CID 87634485
1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol
CID 54281081
N',N'-diethylnonane-1,9-diamine
CID 22055140
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
CID 103187905
1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine
CID 87385985

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(1-aminopropyl)butane-1,4-diamine?
The IUPAC name of N',N'-bis(1-aminopropyl)butane-1,4-diamine (CID 87162355) is N',N'-bis(1-aminopropyl)butane-1,4-diamine.
What is the SMILES notation for N',N'-bis(1-aminopropyl)butane-1,4-diamine?
The canonical SMILES for N',N'-bis(1-aminopropyl)butane-1,4-diamine is CCC(N)N(CCCCN)C(N)CC.
What is the InChIKey of N',N'-bis(1-aminopropyl)butane-1,4-diamine?
The InChIKey is ZECIPTDGKTVAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-3-9(12)14(10(13)4-2)8-6-5-7-11/h9-10H,3-8,11-13H2,1-2H3.
What are the key properties of N',N'-bis(1-aminopropyl)butane-1,4-diamine?
N',N'-bis(1-aminopropyl)butane-1,4-diamine has a molecular weight of 202.35 g/mol, XLogP of 0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(1-aminopropyl)butane-1,4-diamine is sourced from PubChem (CID 87162355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).