2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine

C13H21NO — CID 143456440

IUPAC2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCCCC1OCC1=CCCC=C1
InChIInChI=1S/C13H21NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h2,6-7,12-13H,1,3-5,8-10,14H2
InChIKeyVGVRCIPDGMPSCN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.55
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine

2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine (PubChem CID 143456440) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine
PubChem CID143456440
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCCCC1OCC1=CCCC=C1
InChIInChI=1S/C13H21NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h2,6-7,12-13H,1,3-5,8-10,14H2
InChIKeyVGVRCIPDGMPSCN-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,6-Tetrahydrocyclopenta[c]pyran-1-ylmethanamine
CID 89532757
trans-(1R,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658665
trans-(1R,2R)-2-[(3E,5Z,7Z)-3-methylnona-3,5,7-trienoxy]cyclohexan-1-amine
CID 126658667
trans-(1S,2S)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658691
cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658692
cis-(1R,2S)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658770
[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 129015898
(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine
CID 129016069
2,3,4,5-Tetrahydro-1-benzofuran-3-amine
CID 129116475
2-[2-(3-Aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
CID 142994221
3-(Cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
CID 143260495
2-[2-(1lambda3-Iodacyclohexa-1,3,5-trien-4-yl)ethoxy]cyclohexan-1-amine
CID 143380176

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine (CID 143456440) is 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine is NC1CCCCC1OCC1=CCCC=C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine?
The InChIKey is VGVRCIPDGMPSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h2,6-7,12-13H,1,3-5,8-10,14H2.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine?
2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine is sourced from PubChem (CID 143456440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).