3-methoxy-3-methyl-N-propyldodecan-4-amine

C17H37NO — CID 116758147

IUPAC3-methoxy-3-methyl-N-propyldodecan-4-amine
SMILESCCCCCCCCC(NCCC)C(C)(CC)OC
InChIInChI=1S/C17H37NO/c1-6-9-10-11-12-13-14-16(18-15-7-2)17(4,8-3)19-5/h16,18H,6-15H2,1-5H3
InChIKeyZGDASVZOHSTFSO-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.92
Rot. Bonds13

About 3-methoxy-3-methyl-N-propyldodecan-4-amine

3-methoxy-3-methyl-N-propyldodecan-4-amine (PubChem CID 116758147) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-propyldodecan-4-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-propyldodecan-4-amine
PubChem CID116758147
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name3-methoxy-3-methyl-N-propyldodecan-4-amine
SMILESCCCCCCCCC(NCCC)C(C)(CC)OC
InChIInChI=1S/C17H37NO/c1-6-9-10-11-12-13-14-16(18-15-7-2)17(4,8-3)19-5/h16,18H,6-15H2,1-5H3
InChIKeyZGDASVZOHSTFSO-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603
3-methoxy-3-methyl-N-propyloct-7-en-4-amine
CID 116758336
4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
CID 116758182
3-methoxy-3,6-dimethyl-N-propylnonan-4-amine
CID 116758239
3-methoxy-3-methylnonan-4-ol
CID 116751924
3-N,3-N-diethyl-3-methyl-4-N-propyldecane-3,4-diamine
CID 79069155
5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine
CID 116758190
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
CID 79058558
3-methoxy-3-methyltetradecan-4-amine
CID 116757437
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-propyldodecan-4-amine?
The IUPAC name of 3-methoxy-3-methyl-N-propyldodecan-4-amine (CID 116758147) is 3-methoxy-3-methyl-N-propyldodecan-4-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-propyldodecan-4-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-propyldodecan-4-amine is CCCCCCCCC(NCCC)C(C)(CC)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-propyldodecan-4-amine?
The InChIKey is ZGDASVZOHSTFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-6-9-10-11-12-13-14-16(18-15-7-2)17(4,8-3)19-5/h16,18H,6-15H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-N-propyldodecan-4-amine?
3-methoxy-3-methyl-N-propyldodecan-4-amine has a molecular weight of 271.49 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-propyldodecan-4-amine is sourced from PubChem (CID 116758147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).