N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine

C12H19NO — CID 155244660

IUPACN-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine
SMILESCC1=CC=C(NC2CCCCO2)CC1
InChIInChI=1S/C12H19NO/c1-10-5-7-11(8-6-10)13-12-4-2-3-9-14-12/h5,7,12-13H,2-4,6,8-9H2,1H3
InChIKeyHNLVJODRLRRCOP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.73
Rot. Bonds2

About N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine

N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine (PubChem CID 155244660) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine
PubChem CID155244660
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine
SMILESCC1=CC=C(NC2CCCCO2)CC1
InChIInChI=1S/C12H19NO/c1-10-5-7-11(8-6-10)13-12-4-2-3-9-14-12/h5,7,12-13H,2-4,6,8-9H2,1H3
InChIKeyHNLVJODRLRRCOP-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine?
The IUPAC name of N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine (CID 155244660) is N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine.
What is the SMILES notation for N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine?
The canonical SMILES for N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine is CC1=CC=C(NC2CCCCO2)CC1.
What is the InChIKey of N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine?
The InChIKey is HNLVJODRLRRCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-5-7-11(8-6-10)13-12-4-2-3-9-14-12/h5,7,12-13H,2-4,6,8-9H2,1H3.
What are the key properties of N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine?
N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine is sourced from PubChem (CID 155244660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).