5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine

C10H17N — CID 129082438

IUPAC5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(NC(C)C)=CCC1
InChIInChI=1S/C10H17N/c1-8(2)11-10-6-4-5-9(3)7-10/h6-8,11H,4-5H2,1-3H3
InChIKeyKSHAEGAJJRORPO-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.61
Rot. Bonds2

About 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine

5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 129082438) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID129082438
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(NC(C)C)=CCC1
InChIInChI=1S/C10H17N/c1-8(2)11-10-6-4-5-9(3)7-10/h6-8,11H,4-5H2,1-3H3
InChIKeyKSHAEGAJJRORPO-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 129082438) is 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine is CC1=CC(NC(C)C)=CCC1.
What is the InChIKey of 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is KSHAEGAJJRORPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)11-10-6-4-5-9(3)7-10/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 129082438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).