1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine

C10H26N4 — CID 87385985

IUPAC1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine
SMILESCCCC(N)N(CCCN)CCCN
InChIInChI=1S/C10H26N4/c1-2-5-10(13)14(8-3-6-11)9-4-7-12/h10H,2-9,11-13H2,1H3
InChIKeyXQZVPQYPWLTDDG-UHFFFAOYSA-N
MW202.35 g/mol
LogP0.07
Rot. Bonds9

About 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine

1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine (PubChem CID 87385985) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine
PubChem CID87385985
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine
SMILESCCCC(N)N(CCCN)CCCN
InChIInChI=1S/C10H26N4/c1-2-5-10(13)14(8-3-6-11)9-4-7-12/h10H,2-9,11-13H2,1H3
InChIKeyXQZVPQYPWLTDDG-UHFFFAOYSA-N
XLogP0.07
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-N'-tetratriacontan-16-ylpropane-1,3-diamine
CID 88511358
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
1-N'-(4-aminobutyl)-1-N'-[3-(anthracen-9-ylmethylamino)propyl]butane-1,1-diamine
CID 91070206
(2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide
CID 175579249
heptane-1,4-diamine
CID 18547393
1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol
CID 90117860
1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine
CID 22987584
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
tridecane-1,4,7,10-tetramine
CID 175128174
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
CID 106722606
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine?
The IUPAC name of 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine (CID 87385985) is 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine?
The canonical SMILES for 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine is CCCC(N)N(CCCN)CCCN.
What is the InChIKey of 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine?
The InChIKey is XQZVPQYPWLTDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-2-5-10(13)14(8-3-6-11)9-4-7-12/h10H,2-9,11-13H2,1H3.
What are the key properties of 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine?
1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine has a molecular weight of 202.35 g/mol, XLogP of 0.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine is sourced from PubChem (CID 87385985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).