2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine

C16H35N — CID 114210654

IUPAC2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
SMILESCC(C)CNCC(C)C(C)CCCC(C)(C)C
InChIInChI=1S/C16H35N/c1-13(2)11-17-12-15(4)14(3)9-8-10-16(5,6)7/h13-15,17H,8-12H2,1-7H3
InChIKeyGFFNNHNPCWMHAX-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.72
Rot. Bonds8

About 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine

2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine (PubChem CID 114210654) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine.

Molecular Properties

Compound Name2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
PubChem CID114210654
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
SMILESCC(C)CNCC(C)C(C)CCCC(C)(C)C
InChIInChI=1S/C16H35N/c1-13(2)11-17-12-15(4)14(3)9-8-10-16(5,6)7/h13-15,17H,8-12H2,1-7H3
InChIKeyGFFNNHNPCWMHAX-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine
CID 81016736
5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 55071072
3,4,8,8-tetramethylnonan-1-ol
CID 58843211
2,2,6,7-tetramethylundecane
CID 123602815
CID 175939227
CID 175939227
2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine
CID 81015110
(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine
CID 166938089
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
CID 103019805
3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 81019110
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine
CID 64665441

Frequently Asked Questions

What is the IUPAC name of 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine?
The IUPAC name of 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine (CID 114210654) is 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine.
What is the SMILES notation for 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine?
The canonical SMILES for 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine is CC(C)CNCC(C)C(C)CCCC(C)(C)C.
What is the InChIKey of 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine?
The InChIKey is GFFNNHNPCWMHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-13(2)11-17-12-15(4)14(3)9-8-10-16(5,6)7/h13-15,17H,8-12H2,1-7H3.
What are the key properties of 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine?
2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine is sourced from PubChem (CID 114210654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).