2,2,3,3,5,5,6,7-octamethyloctan-4-amine

C16H35N — CID 155428317

IUPAC2,2,3,3,5,5,6,7-octamethyloctan-4-amine
SMILESCC(C)C(C)C(C)(C)C(N)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H35N/c1-11(2)12(3)15(7,8)13(17)16(9,10)14(4,5)6/h11-13H,17H2,1-10H3
InChIKeyAVFNNTGCYMEXNC-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.70
Rot. Bonds4

About 2,2,3,3,5,5,6,7-octamethyloctan-4-amine

2,2,3,3,5,5,6,7-octamethyloctan-4-amine (PubChem CID 155428317) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,7-octamethyloctan-4-amine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,7-octamethyloctan-4-amine
PubChem CID155428317
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2,2,3,3,5,5,6,7-octamethyloctan-4-amine
SMILESCC(C)C(C)C(C)(C)C(N)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H35N/c1-11(2)12(3)15(7,8)13(17)16(9,10)14(4,5)6/h11-13H,17H2,1-10H3
InChIKeyAVFNNTGCYMEXNC-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3,4,5-pentamethylhexane
CID 21040423
2,3,3-trimethylpentane-2,4-diamine
CID 22186538
2,2,4,5,5-pentamethylhexan-3-amine
CID 131148580
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
2,3,4,4-tetramethylhexane
CID 91517327
1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine
CID 62624086
3,4,5,6,6-pentamethylheptan-2-amine
CID 130427184
2,3,3,4,4-pentamethylpentan-1-amine
CID 146748231
(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine
CID 103934582
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
1-N,3,3-trimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 16795578
3,3-dimethylbutan-2-amine;N-methylmethanamine
CID 143170120

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,7-octamethyloctan-4-amine?
The IUPAC name of 2,2,3,3,5,5,6,7-octamethyloctan-4-amine (CID 155428317) is 2,2,3,3,5,5,6,7-octamethyloctan-4-amine.
What is the SMILES notation for 2,2,3,3,5,5,6,7-octamethyloctan-4-amine?
The canonical SMILES for 2,2,3,3,5,5,6,7-octamethyloctan-4-amine is CC(C)C(C)C(C)(C)C(N)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,5,5,6,7-octamethyloctan-4-amine?
The InChIKey is AVFNNTGCYMEXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-11(2)12(3)15(7,8)13(17)16(9,10)14(4,5)6/h11-13H,17H2,1-10H3.
What are the key properties of 2,2,3,3,5,5,6,7-octamethyloctan-4-amine?
2,2,3,3,5,5,6,7-octamethyloctan-4-amine has a molecular weight of 241.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,7-octamethyloctan-4-amine is sourced from PubChem (CID 155428317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).