1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine

C18H29NO — CID 105005908

IUPAC1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
SMILESC=C(CC)CC(CCc1ccc(OC)cc1)NCCC
InChIInChI=1S/C18H29NO/c1-5-13-19-17(14-15(3)6-2)10-7-16-8-11-18(20-4)12-9-16/h8-9,11-12,17,19H,3,5-7,10,13-14H2,1-2,4H3
InChIKeyLBLWZSYKCRPJJU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.35
Rot. Bonds10

About 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine

1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine (PubChem CID 105005908) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
PubChem CID105005908
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
SMILESC=C(CC)CC(CCc1ccc(OC)cc1)NCCC
InChIInChI=1S/C18H29NO/c1-5-13-19-17(14-15(3)6-2)10-7-16-8-11-18(20-4)12-9-16/h8-9,11-12,17,19H,3,5-7,10,13-14H2,1-2,4H3
InChIKeyLBLWZSYKCRPJJU-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.35
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

6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
CID 65446675
N-ethyl-5-methylidene-1-phenylheptan-3-amine
CID 66038507
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
1-ethoxy-6-methylidene-N-propyloctan-4-amine
CID 105164104
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005455
5-methylidene-1-methylsulfanyl-N-propylheptan-3-amine
CID 105163897

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine (CID 105005908) is 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine is C=C(CC)CC(CCc1ccc(OC)cc1)NCCC.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine?
The InChIKey is LBLWZSYKCRPJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-13-19-17(14-15(3)6-2)10-7-16-8-11-18(20-4)12-9-16/h8-9,11-12,17,19H,3,5-7,10,13-14H2,1-2,4H3.
What are the key properties of 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine?
1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine has a molecular weight of 275.44 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine is sourced from PubChem (CID 105005908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).