2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine

C10H17N — CID 146177940

IUPAC2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC1=C(C(C)C)C=CCC1N
InChIInChI=1S/C10H17N/c1-7(2)9-5-4-6-10(11)8(9)3/h4-5,7,10H,6,11H2,1-3H3
InChIKeyWYBBEUOROVHJQT-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds1

About 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine

2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 146177940) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID146177940
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC1=C(C(C)C)C=CCC1N
InChIInChI=1S/C10H17N/c1-7(2)9-5-4-6-10(11)8(9)3/h4-5,7,10H,6,11H2,1-3H3
InChIKeyWYBBEUOROVHJQT-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 146177940) is 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine is CC1=C(C(C)C)C=CCC1N.
What is the InChIKey of 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is WYBBEUOROVHJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9-5-4-6-10(11)8(9)3/h4-5,7,10H,6,11H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine?
2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 146177940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).