2,7-dimethyloctane-1,2,7,8-tetramine

C10H26N4 — CID 54453561

IUPAC2,7-dimethyloctane-1,2,7,8-tetramine
SMILESCC(N)(CN)CCCCC(C)(N)CN
InChIInChI=1S/C10H26N4/c1-9(13,7-11)5-3-4-6-10(2,14)8-12/h3-8,11-14H2,1-2H3
InChIKeyWWPMZWZOVVZKEO-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.10
Rot. Bonds7

About 2,7-dimethyloctane-1,2,7,8-tetramine

2,7-dimethyloctane-1,2,7,8-tetramine (PubChem CID 54453561) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 2,7-dimethyloctane-1,2,7,8-tetramine.

Molecular Properties

Compound Name2,7-dimethyloctane-1,2,7,8-tetramine
PubChem CID54453561
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name2,7-dimethyloctane-1,2,7,8-tetramine
SMILESCC(N)(CN)CCCCC(C)(N)CN
InChIInChI=1S/C10H26N4/c1-9(13,7-11)5-3-4-6-10(2,14)8-12/h3-8,11-14H2,1-2H3
InChIKeyWWPMZWZOVVZKEO-UHFFFAOYSA-N
XLogP-0.10
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyloctane-1,2-diamine
CID 43519506
3,4-diamino-3-methylbutan-1-ol
CID 150597042
(5,6-diamino-5-methylhexyl)boronic acid;2-phenylethylbenzene
CID 145219499
3-methylheptan-3-amine
CID 91396361
3-methyloctadecan-3-amine
CID 54058172
hexane-1,5,5-triamine
CID 23298659
(2R)-3-methoxy-2-methylpropane-1,2-diamine
CID 94474940
3-amino-3-methyloctan-1-ol
CID 80558733
2-amino-2-methylhexadecan-1-ol
CID 87201246
CID 89340269
CID 89340269
4,11-dimethyl-11-propyltetradecan-4-amine
CID 155476755
7-methoxy-3-methylheptan-3-amine
CID 104650485

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloctane-1,2,7,8-tetramine?
The IUPAC name of 2,7-dimethyloctane-1,2,7,8-tetramine (CID 54453561) is 2,7-dimethyloctane-1,2,7,8-tetramine.
What is the SMILES notation for 2,7-dimethyloctane-1,2,7,8-tetramine?
The canonical SMILES for 2,7-dimethyloctane-1,2,7,8-tetramine is CC(N)(CN)CCCCC(C)(N)CN.
What is the InChIKey of 2,7-dimethyloctane-1,2,7,8-tetramine?
The InChIKey is WWPMZWZOVVZKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-9(13,7-11)5-3-4-6-10(2,14)8-12/h3-8,11-14H2,1-2H3.
What are the key properties of 2,7-dimethyloctane-1,2,7,8-tetramine?
2,7-dimethyloctane-1,2,7,8-tetramine has a molecular weight of 202.35 g/mol, XLogP of -0.10, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloctane-1,2,7,8-tetramine is sourced from PubChem (CID 54453561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).