3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine

C10H17NO — CID 143847881

IUPAC3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine
SMILESNCCCOCC1=CCCC=C1
InChIInChI=1S/C10H17NO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h2,5-6H,1,3-4,7-9,11H2
InChIKeyBEFRBHQSQSGLOD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.63
Rot. Bonds5

About 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine

3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine (PubChem CID 143847881) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine
PubChem CID143847881
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine
SMILESNCCCOCC1=CCCC=C1
InChIInChI=1S/C10H17NO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h2,5-6H,1,3-4,7-9,11H2
InChIKeyBEFRBHQSQSGLOD-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.63
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-(3,6-dihydro-2H-pyran-3-yl)methanamine
CID 167719136
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57034688
3-(Methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine
CID 88985054
3-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]oxypropan-1-amine
CID 89271071
2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
CID 89473311
4-(Methoxymethyl)cyclohexa-2,4-dien-1-amine
CID 89594166
3-Ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
CID 90685559
5-Ethoxy-4-ethylidenehept-2-en-1-amine
CID 90939292
3-Cyclohexa-2,4-dien-1-yloxypropan-1-amine
CID 124036630
3-Cyclohexa-1,5-dien-1-yloxypropan-1-amine
CID 134526914
2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
CID 138526704
4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine
CID 142279313

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine?
The IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine (CID 143847881) is 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine.
What is the SMILES notation for 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine?
The canonical SMILES for 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine is NCCCOCC1=CCCC=C1.
What is the InChIKey of 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine?
The InChIKey is BEFRBHQSQSGLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h2,5-6H,1,3-4,7-9,11H2.
What are the key properties of 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine?
3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine is sourced from PubChem (CID 143847881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).