2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine

C10H15NO — CID 123901361

IUPAC2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine
SMILESCOC1=CC=C(C2CC2N)CC1
InChIInChI=1S/C10H15NO/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2,4,9-10H,3,5-6,11H2,1H3
InChIKeyCWIGVZJBSCMOJJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.58
Rot. Bonds2

About 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine

2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine (PubChem CID 123901361) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine
PubChem CID123901361
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine
SMILESCOC1=CC=C(C2CC2N)CC1
InChIInChI=1S/C10H15NO/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2,4,9-10H,3,5-6,11H2,1H3
InChIKeyCWIGVZJBSCMOJJ-UHFFFAOYSA-N
XLogP1.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(Difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine
CID 162602443
2-Methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 91088098
(3S)-3-(4-methoxycyclohexa-1,3-dien-1-yl)butan-2-amine
CID 142052797
4-(5-Methoxycyclohexa-2,4-dien-1-yl)butan-1-amine
CID 14768818
2-(3,4-dihydro-2H-pyran-5-yl)cyclopropan-1-amine
CID 165652030
rac-(1R,2S)-2-(3,4-dihydro-2H-pyran-5-yl)cyclopropan-1-amine
CID 165760480

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine?
The IUPAC name of 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine (CID 123901361) is 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine?
The canonical SMILES for 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine is COC1=CC=C(C2CC2N)CC1.
What is the InChIKey of 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine?
The InChIKey is CWIGVZJBSCMOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2,4,9-10H,3,5-6,11H2,1H3.
What are the key properties of 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine?
2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine is sourced from PubChem (CID 123901361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).