N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine

C11H19N — CID 137439340

IUPACN-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCNC[C@H]1C=CC(C(C)C)=CC1
InChIInChI=1S/C11H19N/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,6-7,9-10,12H,5,8H2,1-3H3/t10-/m0/s1
InChIKeySPRMSOKDJSJSGE-JTQLQIEISA-N
MW165.28 g/mol
LogP2.36
Rot. Bonds3

About N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine

N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 137439340) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine
PubChem CID137439340
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCNC[C@H]1C=CC(C(C)C)=CC1
InChIInChI=1S/C11H19N/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,6-7,9-10,12H,5,8H2,1-3H3/t10-/m0/s1
InChIKeySPRMSOKDJSJSGE-JTQLQIEISA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine (CID 137439340) is N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine is CNC[C@H]1C=CC(C(C)C)=CC1.
What is the InChIKey of N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is SPRMSOKDJSJSGE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,6-7,9-10,12H,5,8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine?
N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 165.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 137439340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).