N,3,6-trimethyl-5-methylideneoctan-2-amine

C12H25N — CID 123993727

IUPACN,3,6-trimethyl-5-methylideneoctan-2-amine
SMILESC=C(CC(C)C(C)NC)C(C)CC
InChIInChI=1S/C12H25N/c1-7-9(2)10(3)8-11(4)12(5)13-6/h9,11-13H,3,7-8H2,1-2,4-6H3
InChIKeyQDGWOZNHDJQJTC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.22
Rot. Bonds6

About N,3,6-trimethyl-5-methylideneoctan-2-amine

N,3,6-trimethyl-5-methylideneoctan-2-amine (PubChem CID 123993727) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,3,6-trimethyl-5-methylideneoctan-2-amine.

Molecular Properties

Compound NameN,3,6-trimethyl-5-methylideneoctan-2-amine
PubChem CID123993727
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,3,6-trimethyl-5-methylideneoctan-2-amine
SMILESC=C(CC(C)C(C)NC)C(C)CC
InChIInChI=1S/C12H25N/c1-7-9(2)10(3)8-11(4)12(5)13-6/h9,11-13H,3,7-8H2,1-2,4-6H3
InChIKeyQDGWOZNHDJQJTC-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 72200507
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CID 46886826
3,7-Dimethyloct-7-en-1-amine
CID 53497564
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine
CID 123961973
3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
CID 134570911
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
3-Fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 146299779
5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine
CID 166976507
(2S,3R,7S)-7-ethyl-3-methyl-2-prop-2-enylazecane
CID 46218591
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
(3R)-3,7-dimethyl-6-methylideneoctan-1-amine
CID 90715518

Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-5-methylideneoctan-2-amine?
The IUPAC name of N,3,6-trimethyl-5-methylideneoctan-2-amine (CID 123993727) is N,3,6-trimethyl-5-methylideneoctan-2-amine.
What is the SMILES notation for N,3,6-trimethyl-5-methylideneoctan-2-amine?
The canonical SMILES for N,3,6-trimethyl-5-methylideneoctan-2-amine is C=C(CC(C)C(C)NC)C(C)CC.
What is the InChIKey of N,3,6-trimethyl-5-methylideneoctan-2-amine?
The InChIKey is QDGWOZNHDJQJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-7-9(2)10(3)8-11(4)12(5)13-6/h9,11-13H,3,7-8H2,1-2,4-6H3.
What are the key properties of N,3,6-trimethyl-5-methylideneoctan-2-amine?
N,3,6-trimethyl-5-methylideneoctan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-5-methylideneoctan-2-amine is sourced from PubChem (CID 123993727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).