N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C17H27N — CID 79351650

IUPACN-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1cc(C)cc(CNCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H27N/c1-12-7-13(2)9-14(8-12)10-18-11-15-16(3,4)17(15,5)6/h7-9,15,18H,10-11H2,1-6H3
InChIKeyQCTBYXIYBCARHL-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.08
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 79351650) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID79351650
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1cc(C)cc(CNCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H27N/c1-12-7-13(2)9-14(8-12)10-18-11-15-16(3,4)17(15,5)6/h7-9,15,18H,10-11H2,1-6H3
InChIKeyQCTBYXIYBCARHL-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 79351650) is N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is Cc1cc(C)cc(CNCC2C(C)(C)C2(C)C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is QCTBYXIYBCARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-7-13(2)9-14(8-12)10-18-11-15-16(3,4)17(15,5)6/h7-9,15,18H,10-11H2,1-6H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 79351650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).