ethane;5,5,7,7-tetramethyloctan-2-amine

C16H39N — CID 144514577

IUPACethane;5,5,7,7-tetramethyloctan-2-amine
SMILESCC.CC.CC(N)CCC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H27N.2C2H6/c1-10(13)7-8-12(5,6)9-11(2,3)4;2*1-2/h10H,7-9,13H2,1-6H3;2*1-2H3
InChIKeyHETIICWNZNSCMY-UHFFFAOYSA-N
MW245.49 g/mol
LogP5.63
Rot. Bonds4

About ethane;5,5,7,7-tetramethyloctan-2-amine

ethane;5,5,7,7-tetramethyloctan-2-amine (PubChem CID 144514577) has the molecular formula C16H39N and a molecular weight of 245.49 g/mol. Its IUPAC name is ethane;5,5,7,7-tetramethyloctan-2-amine.

Molecular Properties

Compound Nameethane;5,5,7,7-tetramethyloctan-2-amine
PubChem CID144514577
Molecular FormulaC16H39N
Molecular Weight245.49 g/mol
Exact Mass245.31
IUPAC Nameethane;5,5,7,7-tetramethyloctan-2-amine
SMILESCC.CC.CC(N)CCC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H27N.2C2H6/c1-10(13)7-8-12(5,6)9-11(2,3)4;2*1-2/h10H,7-9,13H2,1-6H3;2*1-2H3
InChIKeyHETIICWNZNSCMY-UHFFFAOYSA-N
XLogP5.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.49
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,7S)-5,5,7-trimethylnonan-2-amine
CID 138642965
(2R)-5,5-difluorohexan-2-amine
CID 156690161
ethane;2,2,4,4-tetramethylheptane
CID 143291913
(5R)-hexane-2,5-diamine
CID 144618459
2,2,4,4,6,6-hexamethylheptane
CID 2795065
3,3,5,5-tetramethylhexan-2-amine
CID 143433307
N,3,3,5,5,8-hexamethylnonan-1-amine
CID 146573575
6-amino-2-methylheptane-2-thiol
CID 21432614
1-amino-4,4-dimethylpentan-1-ol
CID 88636806
[(5S)-5-amino-2-methylhexan-2-yl] carbamate
CID 174841923
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
5-bromo-4,4-dimethylpentan-2-amine
CID 126606470

Frequently Asked Questions

What is the IUPAC name of ethane;5,5,7,7-tetramethyloctan-2-amine?
The IUPAC name of ethane;5,5,7,7-tetramethyloctan-2-amine (CID 144514577) is ethane;5,5,7,7-tetramethyloctan-2-amine.
What is the SMILES notation for ethane;5,5,7,7-tetramethyloctan-2-amine?
The canonical SMILES for ethane;5,5,7,7-tetramethyloctan-2-amine is CC.CC.CC(N)CCC(C)(C)CC(C)(C)C.
What is the InChIKey of ethane;5,5,7,7-tetramethyloctan-2-amine?
The InChIKey is HETIICWNZNSCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.2C2H6/c1-10(13)7-8-12(5,6)9-11(2,3)4;2*1-2/h10H,7-9,13H2,1-6H3;2*1-2H3.
What are the key properties of ethane;5,5,7,7-tetramethyloctan-2-amine?
ethane;5,5,7,7-tetramethyloctan-2-amine has a molecular weight of 245.49 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,5,7,7-tetramethyloctan-2-amine is sourced from PubChem (CID 144514577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).