2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine

C10H17N — CID 143410957

IUPAC2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine
SMILESCNC(C)(C)C1=CCCC=C1
InChIInChI=1S/C10H17N/c1-10(2,11-3)9-7-5-4-6-8-9/h5,7-8,11H,4,6H2,1-3H3
InChIKeyXNZPBWVTSNZZBX-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine

2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine (PubChem CID 143410957) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine
PubChem CID143410957
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine
SMILESCNC(C)(C)C1=CCCC=C1
InChIInChI=1S/C10H17N/c1-10(2,11-3)9-7-5-4-6-8-9/h5,7-8,11H,4,6H2,1-3H3
InChIKeyXNZPBWVTSNZZBX-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine (CID 143410957) is 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine is CNC(C)(C)C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine?
The InChIKey is XNZPBWVTSNZZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,11-3)9-7-5-4-6-8-9/h5,7-8,11H,4,6H2,1-3H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine?
2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine is sourced from PubChem (CID 143410957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).