(1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine

C11H17N — CID 170285616

IUPAC(1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine
SMILESCC1=C(C)[C@H]([C@@H](C)N)C=CC=C1
InChIInChI=1S/C11H17N/c1-8-6-4-5-7-11(9(8)2)10(3)12/h4-7,10-11H,12H2,1-3H3/t10-,11-/m1/s1
InChIKeySTIVIWQBUMLWIL-GHMZBOCLSA-N
MW163.26 g/mol
LogP2.41
Rot. Bonds1

About (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine

(1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine (PubChem CID 170285616) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine
PubChem CID170285616
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine
SMILESCC1=C(C)[C@H]([C@@H](C)N)C=CC=C1
InChIInChI=1S/C11H17N/c1-8-6-4-5-7-11(9(8)2)10(3)12/h4-7,10-11H,12H2,1-3H3/t10-,11-/m1/s1
InChIKeySTIVIWQBUMLWIL-GHMZBOCLSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 173070981
(6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene
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CID 21188965
1,2,5-trimethylcyclopenta-1,3-diene;zirconium
CID 174480219
cyclohexa-2,5-diene-1,4-dione;propan-2-amine
CID 175470466
2-amino-2-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]acetic acid;hydrate
CID 175303338
(1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one
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3-[4-(3-oxo-3aH-2-benzofuran-1-yl)phenyl]-7aH-2-benzofuran-1-one
CID 141369009
5-benzhydryl-6-methylidenecyclohexa-1,3-diene
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CID 141444225

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine?
The IUPAC name of (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine (CID 170285616) is (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine?
The canonical SMILES for (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine is CC1=C(C)[C@H]([C@@H](C)N)C=CC=C1.
What is the InChIKey of (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine?
The InChIKey is STIVIWQBUMLWIL-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H17N/c1-8-6-4-5-7-11(9(8)2)10(3)12/h4-7,10-11H,12H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine?
(1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine is sourced from PubChem (CID 170285616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).