N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine

C17H27N — CID 59019999

IUPACN-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ccc(C2(CN(C(C)C)C(C)C)CC2)cc1
InChIInChI=1S/C17H27N/c1-13(2)18(14(3)4)12-17(10-11-17)16-8-6-15(5)7-9-16/h6-9,13-14H,10-12H2,1-5H3
InChIKeyHHLLRQSEGOMKOC-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.15
Rot. Bonds5

About N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine

N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 59019999) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine
PubChem CID59019999
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ccc(C2(CN(C(C)C)C(C)C)CC2)cc1
InChIInChI=1S/C17H27N/c1-13(2)18(14(3)4)12-17(10-11-17)16-8-6-15(5)7-9-16/h6-9,13-14H,10-12H2,1-5H3
InChIKeyHHLLRQSEGOMKOC-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019776
N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019765
ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide
CID 142832998
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine
CID 59837374
1-methyl-4-(1-prop-2-enylcyclopropyl)benzene
CID 142535981
N-methyl-N-[[1-(4-methylphenyl)cyclopentyl]methyl]acetamide
CID 59019943
4-[1-[[propan-2-yl(propyl)amino]methyl]cyclopropyl]aniline
CID 112558001
1-[1-(isocyanatomethyl)cyclopropyl]-4-methylbenzene
CID 82075292
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 113214060

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine (CID 59019999) is N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine is Cc1ccc(C2(CN(C(C)C)C(C)C)CC2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is HHLLRQSEGOMKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)18(14(3)4)12-17(10-11-17)16-8-6-15(5)7-9-16/h6-9,13-14H,10-12H2,1-5H3.
What are the key properties of N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine?
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 59019999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).