4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine

C11H17NO — CID 89154047

IUPAC4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(OCC2CC2)=CC=C1N
InChIInChI=1S/C11H17NO/c1-8-6-10(4-5-11(8)12)13-7-9-2-3-9/h4-5,8-9H,2-3,6-7,12H2,1H3
InChIKeyKORBYRPEQITCJA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.18
Rot. Bonds3

About 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine

4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine (PubChem CID 89154047) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine
PubChem CID89154047
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(OCC2CC2)=CC=C1N
InChIInChI=1S/C11H17NO/c1-8-6-10(4-5-11(8)12)13-7-9-2-3-9/h4-5,8-9H,2-3,6-7,12H2,1H3
InChIKeyKORBYRPEQITCJA-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine (CID 89154047) is 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine is CC1CC(OCC2CC2)=CC=C1N.
What is the InChIKey of 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is KORBYRPEQITCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-6-10(4-5-11(8)12)13-7-9-2-3-9/h4-5,8-9H,2-3,6-7,12H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine?
4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-6-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89154047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).