N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine

C16H25NO — CID 105005926

IUPACN-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
SMILESC=C(CC)CC(NC)c1cccc(OCCC)c1
InChIInChI=1S/C16H25NO/c1-5-10-18-15-9-7-8-14(12-15)16(17-4)11-13(3)6-2/h7-9,12,16-17H,3,5-6,10-11H2,1-2,4H3
InChIKeyMDIJZQDKHQOYDP-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.09
Rot. Bonds8

About N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine

N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine (PubChem CID 105005926) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
PubChem CID105005926
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
SMILESC=C(CC)CC(NC)c1cccc(OCCC)c1
InChIInChI=1S/C16H25NO/c1-5-10-18-15-9-7-8-14(12-15)16(17-4)11-13(3)6-2/h7-9,12,16-17H,3,5-6,10-11H2,1-2,4H3
InChIKeyMDIJZQDKHQOYDP-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.09
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-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
CID 65235295
N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
CID 105005311
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine
CID 104986871
1-(3-hexoxyphenyl)-N-methylpropan-1-amine
CID 114079145
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 115842505
N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine
CID 105039459
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine (CID 105005926) is N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine is C=C(CC)CC(NC)c1cccc(OCCC)c1.
What is the InChIKey of N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine?
The InChIKey is MDIJZQDKHQOYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-10-18-15-9-7-8-14(12-15)16(17-4)11-13(3)6-2/h7-9,12,16-17H,3,5-6,10-11H2,1-2,4H3.
What are the key properties of N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine?
N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine is sourced from PubChem (CID 105005926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).