N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine

C13H27N — CID 105006244

IUPACN-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(NCC)C(C)C(C)C
InChIInChI=1S/C13H27N/c1-7-11(5)9-13(14-8-2)12(6)10(3)4/h10,12-14H,5,7-9H2,1-4,6H3
InChIKeyNXYPJWRWVUKYKU-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.61
Rot. Bonds7

About N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine

N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine (PubChem CID 105006244) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine
PubChem CID105006244
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(NCC)C(C)C(C)C
InChIInChI=1S/C13H27N/c1-7-11(5)9-13(14-8-2)12(6)10(3)4/h10,12-14H,5,7-9H2,1-4,6H3
InChIKeyNXYPJWRWVUKYKU-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine (CID 105006244) is N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine is C=C(CC)CC(NCC)C(C)C(C)C.
What is the InChIKey of N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine?
The InChIKey is NXYPJWRWVUKYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-11(5)9-13(14-8-2)12(6)10(3)4/h10,12-14H,5,7-9H2,1-4,6H3.
What are the key properties of N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine?
N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine has a molecular weight of 197.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-6-methylideneoctan-4-amine is sourced from PubChem (CID 105006244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).