6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine

C13H23NO — CID 145311471

IUPAC6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine
SMILESNCCCCCCOCC1=CCCC=C1
InChIInChI=1S/C13H23NO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h4,8-9H,1-3,5-7,10-12,14H2
InChIKeyKMJGKBQCMDPPLC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.80
Rot. Bonds8

About 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine

6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine (PubChem CID 145311471) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine
PubChem CID145311471
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine
SMILESNCCCCCCOCC1=CCCC=C1
InChIInChI=1S/C13H23NO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h4,8-9H,1-3,5-7,10-12,14H2
InChIKeyKMJGKBQCMDPPLC-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.80
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-[4-(3,6-dihydro-2H-pyran-4-yl)cyclohepta-1,3,5-trien-1-yl]-3-fluoropropan-2-amine
CID 129313849
6-(2-Cyclohexa-1,5-dien-1-yl-2,2-difluoroethoxy)hexan-1-amine
CID 144050832
[4-(2,2,2-Trifluoroethoxymethyl)cyclohexa-1,3-dien-1-yl]methanamine
CID 144367406
[4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine
CID 171496742
2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
CID 22004817
2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
CID 22004818
3-(5,5-Dimethoxycyclohexa-1,3-dien-1-yl)propan-1-amine
CID 67315390
3-(1,3-Dihydrocyclopenta[c]pyran-4-yl)propan-1-amine
CID 67558971
1,3,4,6-Tetrahydrocyclopenta[c]pyran-1-ylmethanamine
CID 89532757
[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 129015898
2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
CID 138526704
2-(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)ethanamine;molecular hydrogen
CID 141927472

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine?
The IUPAC name of 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine (CID 145311471) is 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine.
What is the SMILES notation for 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine?
The canonical SMILES for 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine is NCCCCCCOCC1=CCCC=C1.
What is the InChIKey of 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine?
The InChIKey is KMJGKBQCMDPPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h4,8-9H,1-3,5-7,10-12,14H2.
What are the key properties of 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine?
6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine is sourced from PubChem (CID 145311471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).