(1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine

C11H19NO — CID 130391003

IUPAC(1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine
SMILESCOCC[C@@H](N)C1(C)C=CC=CC1
InChIInChI=1S/C11H19NO/c1-11(7-4-3-5-8-11)10(12)6-9-13-2/h3-5,7,10H,6,8-9,12H2,1-2H3/t10-,11?/m1/s1
InChIKeyVYCMVHSSKQQGHE-NFJWQWPMSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds4

About (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine

(1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine (PubChem CID 130391003) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine
PubChem CID130391003
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine
SMILESCOCC[C@@H](N)C1(C)C=CC=CC1
InChIInChI=1S/C11H19NO/c1-11(7-4-3-5-8-11)10(12)6-9-13-2/h3-5,7,10H,6,8-9,12H2,1-2H3/t10-,11?/m1/s1
InChIKeyVYCMVHSSKQQGHE-NFJWQWPMSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine?
The IUPAC name of (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine (CID 130391003) is (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine.
What is the SMILES notation for (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine?
The canonical SMILES for (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine is COCC[C@@H](N)C1(C)C=CC=CC1.
What is the InChIKey of (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine?
The InChIKey is VYCMVHSSKQQGHE-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(7-4-3-5-8-11)10(12)6-9-13-2/h3-5,7,10H,6,8-9,12H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine?
(1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine is sourced from PubChem (CID 130391003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).