dodecane-1,1,12,12-tetramine

C12H30N4 — CID 57282204

IUPACdodecane-1,1,12,12-tetramine
SMILESNC(N)CCCCCCCCCCC(N)N
InChIInChI=1S/C12H30N4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h11-12H,1-10,13-16H2
InChIKeySGIYUWGZPPSQPG-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.37
Rot. Bonds11

About dodecane-1,1,12,12-tetramine

dodecane-1,1,12,12-tetramine (PubChem CID 57282204) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is dodecane-1,1,12,12-tetramine.

Molecular Properties

Compound Namedodecane-1,1,12,12-tetramine
PubChem CID57282204
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Namedodecane-1,1,12,12-tetramine
SMILESNC(N)CCCCCCCCCCC(N)N
InChIInChI=1S/C12H30N4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h11-12H,1-10,13-16H2
InChIKeySGIYUWGZPPSQPG-UHFFFAOYSA-N
XLogP1.37
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.37
H-Bond Donors ≤ 54
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

hexacosane-1,1-diamine
CID 137375175
8,8-diaminooctan-1-ol
CID 150598575
hexatriacontane-1,1-diamine
CID 21495844
17-methyloctadecane-1,1-diamine
CID 154316058
tetradecane-1,1-diamine;dihydrochloride
CID 21115936
octadec-17-ene-1,1-diamine
CID 87111501
hexane-1,1-diamine;hydrobromide
CID 141245501
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
2,10,10-triaminodecanoic acid
CID 141091504
6,6-diaminohexanenitrile
CID 19597239
octane-1,1,4,8-tetramine
CID 139682493
docosane-2,21-diamine
CID 150079956

Frequently Asked Questions

What is the IUPAC name of dodecane-1,1,12,12-tetramine?
The IUPAC name of dodecane-1,1,12,12-tetramine (CID 57282204) is dodecane-1,1,12,12-tetramine.
What is the SMILES notation for dodecane-1,1,12,12-tetramine?
The canonical SMILES for dodecane-1,1,12,12-tetramine is NC(N)CCCCCCCCCCC(N)N.
What is the InChIKey of dodecane-1,1,12,12-tetramine?
The InChIKey is SGIYUWGZPPSQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h11-12H,1-10,13-16H2.
What are the key properties of dodecane-1,1,12,12-tetramine?
dodecane-1,1,12,12-tetramine has a molecular weight of 230.40 g/mol, XLogP of 1.37, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-1,1,12,12-tetramine is sourced from PubChem (CID 57282204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).