5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine

C14H29N — CID 155468092

IUPAC5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
SMILESC=C(C(CC)CCCCNC)C(C)(C)C
InChIInChI=1S/C14H29N/c1-7-13(10-8-9-11-15-6)12(2)14(3,4)5/h13,15H,2,7-11H2,1,3-6H3
InChIKeySTMILLSAHLJBRS-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.00
Rot. Bonds7

About 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine

5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine (PubChem CID 155468092) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine.

Molecular Properties

Compound Name5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
PubChem CID155468092
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
SMILESC=C(C(CC)CCCCNC)C(C)(C)C
InChIInChI=1S/C14H29N/c1-7-13(10-8-9-11-15-6)12(2)14(3,4)5/h13,15H,2,7-11H2,1,3-6H3
InChIKeySTMILLSAHLJBRS-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(2,2-dimethylpentan-3-one);tris((3S)-3-ethyl-7-(methylamino)heptan-2-one);propane
CID 163708383
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778
(4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one
CID 159239549
(3S)-7-(methylamino)-3-propylheptan-2-one
CID 159849059
10-(methylamino)decane-1,1-diol
CID 151651816
N,5-dimethylhexan-1-amine;ethane
CID 142540507
N,5-dimethyl-6-methylideneoct-7-en-1-amine
CID 143352180
2-tert-butyl-6-(methylamino)hexanoic acid
CID 87524878
N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine
CID 166800769
(7S)-2-methyl-7,11-bis(methylamino)-4-[4-(methylamino)butyl]undecane-3,6-dione
CID 163648641
5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine
CID 143587043
2-[4-(methylamino)butyl]propane-1,3-diol
CID 59502430

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine?
The IUPAC name of 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine (CID 155468092) is 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine.
What is the SMILES notation for 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine?
The canonical SMILES for 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine is C=C(C(CC)CCCCNC)C(C)(C)C.
What is the InChIKey of 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine?
The InChIKey is STMILLSAHLJBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-7-13(10-8-9-11-15-6)12(2)14(3,4)5/h13,15H,2,7-11H2,1,3-6H3.
What are the key properties of 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine?
5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine is sourced from PubChem (CID 155468092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).