N-(4-methoxyphenyl)hexan-3-imine

C13H19NO — CID 134897334

IUPACN-(4-methoxyphenyl)hexan-3-imine
SMILESCCC/C(CC)=N/c1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-4-6-11(5-2)14-12-7-9-13(15-3)10-8-12/h7-10H,4-6H2,1-3H3/b14-11+
InChIKeyOSBMQJNILBTLMI-SDNWHVSQSA-N
MW205.30 g/mol
LogP3.98
Rot. Bonds5

About N-(4-methoxyphenyl)hexan-3-imine

N-(4-methoxyphenyl)hexan-3-imine (PubChem CID 134897334) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)hexan-3-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)hexan-3-imine
PubChem CID134897334
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(4-methoxyphenyl)hexan-3-imine
SMILESCCC/C(CC)=N/c1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-4-6-11(5-2)14-12-7-9-13(15-3)10-8-12/h7-10H,4-6H2,1-3H3/b14-11+
InChIKeyOSBMQJNILBTLMI-SDNWHVSQSA-N
XLogP3.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)butan-2-imine
CID 15683591
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine
CID 102053586
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
2-(4-ethoxyphenyl)-1,3-bis(4-methoxyphenyl)guanidine;hydrochloride
CID 10827
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate
CID 10847464
1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410
(E)-N-(4-methoxyphenyl)pent-3-en-2-imine
CID 134838595

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)hexan-3-imine?
The IUPAC name of N-(4-methoxyphenyl)hexan-3-imine (CID 134897334) is N-(4-methoxyphenyl)hexan-3-imine.
What is the SMILES notation for N-(4-methoxyphenyl)hexan-3-imine?
The canonical SMILES for N-(4-methoxyphenyl)hexan-3-imine is CCC/C(CC)=N/c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)hexan-3-imine?
The InChIKey is OSBMQJNILBTLMI-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-6-11(5-2)14-12-7-9-13(15-3)10-8-12/h7-10H,4-6H2,1-3H3/b14-11+.
What are the key properties of N-(4-methoxyphenyl)hexan-3-imine?
N-(4-methoxyphenyl)hexan-3-imine has a molecular weight of 205.30 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)hexan-3-imine is sourced from PubChem (CID 134897334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).