2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine

C14H29NO — CID 103028506

IUPAC2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine
SMILESC=C(CC)CC(CC(C)(C)OC)NCCC
InChIInChI=1S/C14H29NO/c1-7-9-15-13(10-12(3)8-2)11-14(4,5)16-6/h13,15H,3,7-11H2,1-2,4-6H3
InChIKeyMTBDCSVUFIZVDH-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.53
Rot. Bonds9

About 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine

2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine (PubChem CID 103028506) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine
PubChem CID103028506
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine
SMILESC=C(CC)CC(CC(C)(C)OC)NCCC
InChIInChI=1S/C14H29NO/c1-7-9-15-13(10-12(3)8-2)11-14(4,5)16-6/h13,15H,3,7-11H2,1-2,4-6H3
InChIKeyMTBDCSVUFIZVDH-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-ethyl-3-methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037814
3-methylidene-1-(oxolan-3-yl)-N-propylpentan-1-amine
CID 66038048
N-ethyl-1-methoxy-6-methylideneoctan-4-amine
CID 66038761
1-methoxy-6-methylidene-N-propyloctan-4-amine
CID 66038762
1-methoxy-N-methyl-5-methylideneheptan-3-amine
CID 66038979
N-ethyl-1-methoxy-5-methylideneheptan-3-amine
CID 66038980
1-methoxy-5-methylidene-N-propylheptan-3-amine
CID 66038981
N-ethyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine
CID 66044347
4-methylidene-1-(oxolan-2-yl)-N-propylhexan-2-amine
CID 66044348
N-ethyl-4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 79178931
4-methyl-1-(oxolan-2-yl)-N-propylpent-4-en-2-amine
CID 79178932

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine?
The IUPAC name of 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine (CID 103028506) is 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine.
What is the SMILES notation for 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine?
The canonical SMILES for 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine is C=C(CC)CC(CC(C)(C)OC)NCCC.
What is the InChIKey of 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine?
The InChIKey is MTBDCSVUFIZVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-9-15-13(10-12(3)8-2)11-14(4,5)16-6/h13,15H,3,7-11H2,1-2,4-6H3.
What are the key properties of 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine?
2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine is sourced from PubChem (CID 103028506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).