1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine

C12H30N4 — CID 88835277

IUPAC1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine
SMILESCN(C)CC(C(N)CCCCCN)N(C)C
InChIInChI=1S/C12H30N4/c1-15(2)10-12(16(3)4)11(14)8-6-5-7-9-13/h11-12H,5-10,13-14H2,1-4H3
InChIKeySGKVKZYJBJSYMA-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.32
Rot. Bonds9

About 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine

1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine (PubChem CID 88835277) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine
PubChem CID88835277
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine
SMILESCN(C)CC(C(N)CCCCCN)N(C)C
InChIInChI=1S/C12H30N4/c1-15(2)10-12(16(3)4)11(14)8-6-5-7-9-13/h11-12H,5-10,13-14H2,1-4H3
InChIKeySGKVKZYJBJSYMA-UHFFFAOYSA-N
XLogP0.32
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-dimethylhenicosane-1,3,4-triamine
CID 87930078
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
octane-1,4,8-triamine
CID 18544198
36-methylheptatriacontan-1-amine
CID 134324173
2-methyldecane-1,1,10-triamine
CID 175230718
pentacosane-1,13,25-triamine
CID 174653759
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
3-N,3-N,4-N,4-N-tetramethylhexane-1,3,4,6-tetramine
CID 57125116

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine (CID 88835277) is 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine is CN(C)CC(C(N)CCCCCN)N(C)C.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine?
The InChIKey is SGKVKZYJBJSYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-15(2)10-12(16(3)4)11(14)8-6-5-7-9-13/h11-12H,5-10,13-14H2,1-4H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine?
1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine has a molecular weight of 230.40 g/mol, XLogP of 0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetramethyloctane-1,2,3,8-tetramine is sourced from PubChem (CID 88835277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).