3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine

C10H17NO — CID 118242317

IUPAC3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCOC1=C(C(C)C)CCC(N)=C1
InChIInChI=1S/C10H17NO/c1-7(2)9-5-4-8(11)6-10(9)12-3/h6-7H,4-5,11H2,1-3H3
InChIKeyPNQNACMIHPJILJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.18
Rot. Bonds2

About 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine

3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine (PubChem CID 118242317) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine
PubChem CID118242317
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCOC1=C(C(C)C)CCC(N)=C1
InChIInChI=1S/C10H17NO/c1-7(2)9-5-4-8(11)6-10(9)12-3/h6-7H,4-5,11H2,1-3H3
InChIKeyPNQNACMIHPJILJ-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-3-methoxycyclohexa-1,3-dien-1-amine
CID 89010067
2-[3-Methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine
CID 91537329
(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
CID 126735355
(3Z,5Z)-6-methyl-2,7,7a,8-tetrahydro-1-benzoxonin-9-amine
CID 138509244
(E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
CID 142518700
4-[(3E)-5-amino-4-methoxyhexa-1,3,5-trien-2-yl]-2-methoxycyclohexa-1,3-dien-1-amine
CID 144409524
(3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine
CID 144664449
3-Butoxy-4-methylcyclohexa-1,3-dien-1-amine
CID 144761133
2-(3-Methoxypropoxy)-4-methylcyclohexa-1,3-dien-1-amine
CID 144761137
4-Ethyl-2-methoxycyclohexa-1,3-dien-1-amine
CID 144959553
(5-Amino-2-methylcyclohexa-1,5-dien-1-yl) cyanate
CID 145100064
4-Ethyl-2-methoxy-5,5-dimethylcyclopenta-1,3-dien-1-amine
CID 163830820

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine (CID 118242317) is 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine is COC1=C(C(C)C)CCC(N)=C1.
What is the InChIKey of 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is PNQNACMIHPJILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)9-5-4-8(11)6-10(9)12-3/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 118242317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).