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

C13H27NO — CID 116721212

IUPAC3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(NC)C(OCC)C(C)C
InChIInChI=1S/C13H27NO/c1-7-11(5)9-12(14-6)13(10(3)4)15-8-2/h10,12-14H,5,7-9H2,1-4,6H3
InChIKeyXULHTPZACIDRKD-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds8

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

3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine (PubChem CID 116721212) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine.

Molecular Properties

Compound Name3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine
PubChem CID116721212
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(NC)C(OCC)C(C)C
InChIInChI=1S/C13H27NO/c1-7-11(5)9-12(14-6)13(10(3)4)15-8-2/h10,12-14H,5,7-9H2,1-4,6H3
InChIKeyXULHTPZACIDRKD-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2,5-trimethyl-6-prop-2-enyloxan-3-amine
CID 123611757
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
6-methoxy-2-methyl-7-methylidene-N-propan-2-ylhenicosan-5-amine
CID 134480083
2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine
CID 135274385
(3R)-N,5-dimethyl-2-propan-2-yloxyhex-1-en-3-amine
CID 145642012
N,5-dimethyl-2-propan-2-yloxyhex-1-en-3-amine
CID 147933934
N,3,7-trimethyl-9-methylidene-5-pentadec-1-en-2-yloxydocosan-6-amine
CID 169573831
N-butyl-22-hexyl-20-methylidene-2-tridecan-7-yloxyoctacos-1-en-11-amine
CID 174290705
2-ethoxy-N-methyloct-7-en-3-amine
CID 64532987
2-ethoxy-N-methyl-5-methylideneheptan-3-amine
CID 66037099
2-ethoxy-N-ethyl-5-methylideneheptan-3-amine
CID 66037100
2-ethoxy-5-methylidene-N-propylheptan-3-amine
CID 66037101

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine?
The IUPAC name of 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine (CID 116721212) is 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine.
What is the SMILES notation for 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine?
The canonical SMILES for 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine is C=C(CC)CC(NC)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine?
The InChIKey is XULHTPZACIDRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-11(5)9-12(14-6)13(10(3)4)15-8-2/h10,12-14H,5,7-9H2,1-4,6H3.
What are the key properties of 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine?
3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine is sourced from PubChem (CID 116721212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).