methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine

C26H40N4O2 — CID 143494474

IUPACmethanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine
SMILESCN.[H]/N=C/c1ccc(OCCCC2CCN(CCCOc3ccc(CN)cc3)CC2)cc1
InChIInChI=1S/C25H35N3O2.CH5N/c26-19-22-4-8-24(9-5-22)29-17-1-3-21-12-15-28(16-13-21)14-2-18-30-25-10-6-23(20-27)7-11-25;1-2/h4-11,19,21,26H,1-3,12-18,20,27H2;2H2,1H3/b26-19+;
InChIKeyWUFUZYOPPCGZNE-MGXPCBRFSA-N
MW440.63 g/mol
LogP4.06
Rot. Bonds12

About methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine

methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine (PubChem CID 143494474) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine.

Molecular Properties

Compound Namemethanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine
PubChem CID143494474
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Namemethanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine
SMILESCN.[H]/N=C/c1ccc(OCCCC2CCN(CCCOc3ccc(CN)cc3)CC2)cc1
InChIInChI=1S/C25H35N3O2.CH5N/c26-19-22-4-8-24(9-5-22)29-17-1-3-21-12-15-28(16-13-21)14-2-18-30-25-10-6-23(20-27)7-11-25;1-2/h4-11,19,21,26H,1-3,12-18,20,27H2;2H2,1H3/b26-19+;
InChIKeyWUFUZYOPPCGZNE-MGXPCBRFSA-N
XLogP4.06
TPSA97.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine
CID 145111056
1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine
CID 143655823
ethyl 4-[3-[1-[3-(4-carbamimidoylphenoxy)propyl]piperidin-4-yl]propoxy]benzenecarboximidate
CID 59869046
4-[3-[1-[3-[4-[(Z)-N'-methoxycarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]-N'-methylbenzenecarboximidamide
CID 59869047
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070
pentyl N-[4-[3-[1-[3-[4-(N-pentoxycarbonylcarbamimidoyl)phenoxy]propyl]piperidin-4-yl]propoxy]benzenecarboximidoyl]carbamate
CID 140533079
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine
CID 143109562
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559167
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
N-[4-[3-[1-[3-[4-(1-aminoethenyl)phenoxy]propyl]piperidin-4-yl]propoxy]benzenecarboximidoyl]acetamide
CID 173499011

Frequently Asked Questions

What is the IUPAC name of methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine?
The IUPAC name of methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine (CID 143494474) is methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine.
What is the SMILES notation for methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine?
The canonical SMILES for methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine is CN.[H]/N=C/c1ccc(OCCCC2CCN(CCCOc3ccc(CN)cc3)CC2)cc1.
What is the InChIKey of methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine?
The InChIKey is WUFUZYOPPCGZNE-MGXPCBRFSA-N. The full InChI is InChI=1S/C25H35N3O2.CH5N/c26-19-22-4-8-24(9-5-22)29-17-1-3-21-12-15-28(16-13-21)14-2-18-30-25-10-6-23(20-27)7-11-25;1-2/h4-11,19,21,26H,1-3,12-18,20,27H2;2H2,1H3/b26-19+;.
What are the key properties of methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine?
methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine has a molecular weight of 440.63 g/mol, XLogP of 4.06, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;[4-[3-[4-[3-(4-methanimidoylphenoxy)propyl]piperidin-1-yl]propoxy]phenyl]methanamine is sourced from PubChem (CID 143494474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).