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

C10H17N — CID 141009789

IUPAC4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(N)(C(C)C)C=C1
InChIInChI=1S/C10H17N/c1-8(2)10(11)6-4-9(3)5-7-10/h4-6,8H,7,11H2,1-3H3
InChIKeySBMVGJGSJPWXTL-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds1

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

4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 141009789) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID141009789
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(N)(C(C)C)C=C1
InChIInChI=1S/C10H17N/c1-8(2)10(11)6-4-9(3)5-7-10/h4-6,8H,7,11H2,1-3H3
InChIKeySBMVGJGSJPWXTL-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 4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 141009789) is 4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine is CC1=CCC(N)(C(C)C)C=C1.
What is the InChIKey of 4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is SBMVGJGSJPWXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10(11)6-4-9(3)5-7-10/h4-6,8H,7,11H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine?
4-methyl-1-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 4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 141009789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).