N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine

C14H25NO — CID 142978590

IUPACN-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine
SMILESCCCCCNCC1C=C(C)C=CC1OC
InChIInChI=1S/C14H25NO/c1-4-5-6-9-15-11-13-10-12(2)7-8-14(13)16-3/h7-8,10,13-15H,4-6,9,11H2,1-3H3
InChIKeyUFXGMDGXFOJWMY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.91
Rot. Bonds7

About N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine

N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine (PubChem CID 142978590) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine
PubChem CID142978590
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine
SMILESCCCCCNCC1C=C(C)C=CC1OC
InChIInChI=1S/C14H25NO/c1-4-5-6-9-15-11-13-10-12(2)7-8-14(13)16-3/h7-8,10,13-15H,4-6,9,11H2,1-3H3
InChIKeyUFXGMDGXFOJWMY-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 138502674
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
2,3,4,4a,6,6a-hexahydro-1H-isochromeno[4,3-c]pyridine
CID 68731421
4-(5-Methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 70917166
N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine
CID 88583271
[4-[(3-Methylbutylamino)methyl]cyclohexa-2,4-dien-1-yl] propanimidate
CID 89054418
N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 123449523
N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine
CID 129016184
2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 130246395
N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 134219453
N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
CID 134242988
(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
CID 135225387

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine (CID 142978590) is N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine is CCCCCNCC1C=C(C)C=CC1OC.
What is the InChIKey of N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine?
The InChIKey is UFXGMDGXFOJWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-6-9-15-11-13-10-12(2)7-8-14(13)16-3/h7-8,10,13-15H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine?
N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine is sourced from PubChem (CID 142978590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).