N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine

C17H27N — CID 66023597

IUPACN-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)cc(CC2(CNC(C)(C)C)CC2)c1
InChIInChI=1S/C17H27N/c1-13-8-14(2)10-15(9-13)11-17(6-7-17)12-18-16(3,4)5/h8-10,18H,6-7,11-12H2,1-5H3
InChIKeyXPIOEAQNDUPQRL-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.01
Rot. Bonds4

About N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine

N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 66023597) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID66023597
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)cc(CC2(CNC(C)(C)C)CC2)c1
InChIInChI=1S/C17H27N/c1-13-8-14(2)10-15(9-13)11-17(6-7-17)12-18-16(3,4)5/h8-10,18H,6-7,11-12H2,1-5H3
InChIKeyXPIOEAQNDUPQRL-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (CID 66023597) is N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine is Cc1cc(C)cc(CC2(CNC(C)(C)C)CC2)c1.
What is the InChIKey of N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XPIOEAQNDUPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-8-14(2)10-15(9-13)11-17(6-7-17)12-18-16(3,4)5/h8-10,18H,6-7,11-12H2,1-5H3.
What are the key properties of N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66023597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).