N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine

C11H17N — CID 45096214

IUPACN-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine
SMILESCNC1C=CC=CC=C1C(C)C
InChIInChI=1S/C11H17N/c1-9(2)10-7-5-4-6-8-11(10)12-3/h4-9,11-12H,1-3H3
InChIKeyJJQIPDXTXMUSLZ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.28
Rot. Bonds2

About N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine

N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine (PubChem CID 45096214) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine
PubChem CID45096214
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine
SMILESCNC1C=CC=CC=C1C(C)C
InChIInChI=1S/C11H17N/c1-9(2)10-7-5-4-6-8-11(10)12-3/h4-9,11-12H,1-3H3
InChIKeyJJQIPDXTXMUSLZ-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene
CID 59910093
2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
CID 123183468
5-ethyl-1-propan-2-ylcyclopenta-1,3-diene
CID 169222891
2-fluoro-3-propan-2-yl-1,2-dihydropyridine
CID 144628803
dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 174388271
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
6-methyl-5-propan-2-ylcyclohexa-2,4-diene-1-carbonitrile
CID 90706145
2-methyl-N-(methyldiazenyl)cyclohepta-2,4,6-trien-1-amine
CID 146581355
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
2,3-di(propan-2-yl)-1,2-dihydropyridine
CID 121260753
2-bromo-7-hydroxy-3-propan-2-ylcyclohepta-3,5-dien-1-one
CID 118155001
1-methyl-3-propan-2-yl-2H-pyridin-2-ol
CID 135127171

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine (CID 45096214) is N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine is CNC1C=CC=CC=C1C(C)C.
What is the InChIKey of N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is JJQIPDXTXMUSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)10-7-5-4-6-8-11(10)12-3/h4-9,11-12H,1-3H3.
What are the key properties of N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine?
N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 45096214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).