2,2,5-trimethyl-N-propylhexane-1,6-diamine

C12H28N2 — CID 19427160

IUPAC2,2,5-trimethyl-N-propylhexane-1,6-diamine
SMILESCCCNCC(C)(C)CCC(C)CN
InChIInChI=1S/C12H28N2/c1-5-8-14-10-12(3,4)7-6-11(2)9-13/h11,14H,5-10,13H2,1-4H3
InChIKeyMTJSNGZXELTKAL-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.39
Rot. Bonds8

About 2,2,5-trimethyl-N-propylhexane-1,6-diamine

2,2,5-trimethyl-N-propylhexane-1,6-diamine (PubChem CID 19427160) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,2,5-trimethyl-N-propylhexane-1,6-diamine.

Molecular Properties

Compound Name2,2,5-trimethyl-N-propylhexane-1,6-diamine
PubChem CID19427160
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2,2,5-trimethyl-N-propylhexane-1,6-diamine
SMILESCCCNCC(C)(C)CCC(C)CN
InChIInChI=1S/C12H28N2/c1-5-8-14-10-12(3,4)7-6-11(2)9-13/h11,14H,5-10,13H2,1-4H3
InChIKeyMTJSNGZXELTKAL-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5,5-trimethylnonan-1-amine
CID 123431416
2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 138459549
2,2,4-trimethyl-N-propylhexan-1-amine
CID 62724538
2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 62725135
N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine
CID 158014469
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
CID 62724939
2,2,4,4-tetramethyl-N-propylpentan-1-amine
CID 177180730
2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
CID 83159399
4,7,7,10-tetramethyltridecane
CID 123261465
N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
CID 115204534

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-N-propylhexane-1,6-diamine?
The IUPAC name of 2,2,5-trimethyl-N-propylhexane-1,6-diamine (CID 19427160) is 2,2,5-trimethyl-N-propylhexane-1,6-diamine.
What is the SMILES notation for 2,2,5-trimethyl-N-propylhexane-1,6-diamine?
The canonical SMILES for 2,2,5-trimethyl-N-propylhexane-1,6-diamine is CCCNCC(C)(C)CCC(C)CN.
What is the InChIKey of 2,2,5-trimethyl-N-propylhexane-1,6-diamine?
The InChIKey is MTJSNGZXELTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-8-14-10-12(3,4)7-6-11(2)9-13/h11,14H,5-10,13H2,1-4H3.
What are the key properties of 2,2,5-trimethyl-N-propylhexane-1,6-diamine?
2,2,5-trimethyl-N-propylhexane-1,6-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-N-propylhexane-1,6-diamine is sourced from PubChem (CID 19427160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).