N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine

C17H27N — CID 96662677

IUPACN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC1CC1
InChIInChI=1S/C17H27N/c1-12-10-14(17(3,4)5)11-13(2)16(12)8-9-18-15-6-7-15/h10-11,15,18H,6-9H2,1-5H3
InChIKeyGGQZCFYUHGHTMO-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.90
Rot. Bonds4

About N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine (PubChem CID 96662677) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine
PubChem CID96662677
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC1CC1
InChIInChI=1S/C17H27N/c1-12-10-14(17(3,4)5)11-13(2)16(12)8-9-18-15-6-7-15/h10-11,15,18H,6-9H2,1-5H3
InChIKeyGGQZCFYUHGHTMO-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 96679064
3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol
CID 10382052
N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
CID 98017013
N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine
CID 96660657
N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 79219679
3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol
CID 115217050
N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
CID 83068383
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine
CID 62725149
N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115207098
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine (CID 96662677) is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine is Cc1cc(C(C)(C)C)cc(C)c1CCNC1CC1.
What is the InChIKey of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine?
The InChIKey is GGQZCFYUHGHTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-10-14(17(3,4)5)11-13(2)16(12)8-9-18-15-6-7-15/h10-11,15,18H,6-9H2,1-5H3.
What are the key properties of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine?
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine has a molecular weight of 245.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 96662677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).