2,2,8,8-tetramethyl-N-propylnonan-5-amine

C16H35N — CID 173351827

IUPAC2,2,8,8-tetramethyl-N-propylnonan-5-amine
SMILESCCCNC(CCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C16H35N/c1-8-13-17-14(9-11-15(2,3)4)10-12-16(5,6)7/h14,17H,8-13H2,1-7H3
InChIKeyTWJLICLOKINWPS-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.01
Rot. Bonds7

About 2,2,8,8-tetramethyl-N-propylnonan-5-amine

2,2,8,8-tetramethyl-N-propylnonan-5-amine (PubChem CID 173351827) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2,2,8,8-tetramethyl-N-propylnonan-5-amine.

Molecular Properties

Compound Name2,2,8,8-tetramethyl-N-propylnonan-5-amine
PubChem CID173351827
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2,2,8,8-tetramethyl-N-propylnonan-5-amine
SMILESCCCNC(CCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C16H35N/c1-8-13-17-14(9-11-15(2,3)4)10-12-16(5,6)7/h14,17H,8-13H2,1-7H3
InChIKeyTWJLICLOKINWPS-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N,5,5-tetramethyl-2-N-propylhexane-1,2-diamine
CID 79088484
5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
CID 65131446
1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
CID 115849970
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
CID 105140177
1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine
CID 103516584
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-ethyl-2,7,7-trimethyloctan-4-amine
CID 62601319
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933

Frequently Asked Questions

What is the IUPAC name of 2,2,8,8-tetramethyl-N-propylnonan-5-amine?
The IUPAC name of 2,2,8,8-tetramethyl-N-propylnonan-5-amine (CID 173351827) is 2,2,8,8-tetramethyl-N-propylnonan-5-amine.
What is the SMILES notation for 2,2,8,8-tetramethyl-N-propylnonan-5-amine?
The canonical SMILES for 2,2,8,8-tetramethyl-N-propylnonan-5-amine is CCCNC(CCC(C)(C)C)CCC(C)(C)C.
What is the InChIKey of 2,2,8,8-tetramethyl-N-propylnonan-5-amine?
The InChIKey is TWJLICLOKINWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-8-13-17-14(9-11-15(2,3)4)10-12-16(5,6)7/h14,17H,8-13H2,1-7H3.
What are the key properties of 2,2,8,8-tetramethyl-N-propylnonan-5-amine?
2,2,8,8-tetramethyl-N-propylnonan-5-amine has a molecular weight of 241.46 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8,8-tetramethyl-N-propylnonan-5-amine is sourced from PubChem (CID 173351827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).