4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine

C18H30N2O — CID 43829893

IUPAC4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
SMILESC=CCC(N)(c1ccc(OC)cc1)C(CCCC)N(C)C
InChIInChI=1S/C18H30N2O/c1-6-8-9-17(20(3)4)18(19,14-7-2)15-10-12-16(21-5)13-11-15/h7,10-13,17H,2,6,8-9,14,19H2,1,3-5H3
InChIKeyODCFSHIBFXXTSH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.55
Rot. Bonds9

About 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine

4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine (PubChem CID 43829893) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
PubChem CID43829893
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
SMILESC=CCC(N)(c1ccc(OC)cc1)C(CCCC)N(C)C
InChIInChI=1S/C18H30N2O/c1-6-8-9-17(20(3)4)18(19,14-7-2)15-10-12-16(21-5)13-11-15/h7,10-13,17H,2,6,8-9,14,19H2,1,3-5H3
InChIKeyODCFSHIBFXXTSH-UHFFFAOYSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine
CID 43829878
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43829876
CID 10951288
CID 10951288
1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol
CID 102472331
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine
CID 43829907
1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene
CID 102097500
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine?
The IUPAC name of 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine (CID 43829893) is 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine is C=CCC(N)(c1ccc(OC)cc1)C(CCCC)N(C)C.
What is the InChIKey of 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine?
The InChIKey is ODCFSHIBFXXTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-8-9-17(20(3)4)18(19,14-7-2)15-10-12-16(21-5)13-11-15/h7,10-13,17H,2,6,8-9,14,19H2,1,3-5H3.
What are the key properties of 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine?
4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine is sourced from PubChem (CID 43829893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).