N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine

C11H19NO — CID 134219453

IUPACN-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
SMILESCOC1C=CC=CC1CNC(C)C
InChIInChI=1S/C11H19NO/c1-9(2)12-8-10-6-4-5-7-11(10)13-3/h4-7,9-12H,8H2,1-3H3
InChIKeyAFSNAPWUJVQMLD-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.74
Rot. Bonds4

About N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine

N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine (PubChem CID 134219453) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
PubChem CID134219453
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
SMILESCOC1C=CC=CC1CNC(C)C
InChIInChI=1S/C11H19NO/c1-9(2)12-8-10-6-4-5-7-11(10)13-3/h4-7,9-12H,8H2,1-3H3
InChIKeyAFSNAPWUJVQMLD-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine (CID 134219453) is N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine is COC1C=CC=CC1CNC(C)C.
What is the InChIKey of N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine?
The InChIKey is AFSNAPWUJVQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)12-8-10-6-4-5-7-11(10)13-3/h4-7,9-12H,8H2,1-3H3.
What are the key properties of N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine?
N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine is sourced from PubChem (CID 134219453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).