ethane;3,3,4-trimethylheptan-1-amine

C12H29N — CID 143679241

IUPACethane;3,3,4-trimethylheptan-1-amine
SMILESCC.CCCC(C)C(C)(C)CCN
InChIInChI=1S/C10H23N.C2H6/c1-5-6-9(2)10(3,4)7-8-11;1-2/h9H,5-8,11H2,1-4H3;1-2H3
InChIKeyOBUHVSTVNGMMOD-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.82
Rot. Bonds5

About ethane;3,3,4-trimethylheptan-1-amine

ethane;3,3,4-trimethylheptan-1-amine (PubChem CID 143679241) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;3,3,4-trimethylheptan-1-amine.

Molecular Properties

Compound Nameethane;3,3,4-trimethylheptan-1-amine
PubChem CID143679241
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;3,3,4-trimethylheptan-1-amine
SMILESCC.CCCC(C)C(C)(C)CCN
InChIInChI=1S/C10H23N.C2H6/c1-5-6-9(2)10(3,4)7-8-11;1-2/h9H,5-8,11H2,1-4H3;1-2H3
InChIKeyOBUHVSTVNGMMOD-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4-trimethylheptylhydrazine
CID 163637061
4,5,5-trimethyldodecane
CID 123360574
4-methyl-1-tritiopentane;4,4,5-trimethyloctane
CID 173400294
2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
3,3-dimethylhexane-1,4-diamine
CID 116934427
3,3,5-trimethylhexane-1,4-diamine
CID 116934431
2,5,6,9,10,10-hexamethyltridecane
CID 144617214
3-amino-3,4-dimethylheptan-1-ol
CID 154158859
4,5-dimethyl-5-propylnonane;ethane
CID 144518109
trichloro(2,3-dimethylhexan-2-yl)silane
CID 170850505
6-ethyl-2,6,7-trimethyldecane
CID 123269799
3,3-difluoro-4-methylheptane
CID 146477960

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,4-trimethylheptan-1-amine?
The IUPAC name of ethane;3,3,4-trimethylheptan-1-amine (CID 143679241) is ethane;3,3,4-trimethylheptan-1-amine.
What is the SMILES notation for ethane;3,3,4-trimethylheptan-1-amine?
The canonical SMILES for ethane;3,3,4-trimethylheptan-1-amine is CC.CCCC(C)C(C)(C)CCN.
What is the InChIKey of ethane;3,3,4-trimethylheptan-1-amine?
The InChIKey is OBUHVSTVNGMMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C2H6/c1-5-6-9(2)10(3,4)7-8-11;1-2/h9H,5-8,11H2,1-4H3;1-2H3.
What are the key properties of ethane;3,3,4-trimethylheptan-1-amine?
ethane;3,3,4-trimethylheptan-1-amine has a molecular weight of 187.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,4-trimethylheptan-1-amine is sourced from PubChem (CID 143679241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).