N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine

C15H24N2O2 — CID 115554122

IUPACN-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine
SMILESCCNC(Cc1c(C)cccc1[N+](=O)[O-])C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-6-16-14(15(3,4)5)10-12-11(2)8-7-9-13(12)17(18)19/h7-9,14,16H,6,10H2,1-5H3
InChIKeyJYOIJCRKDJEDPB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.47
Rot. Bonds5

About N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine

N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine (PubChem CID 115554122) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine
PubChem CID115554122
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine
SMILESCCNC(Cc1c(C)cccc1[N+](=O)[O-])C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-6-16-14(15(3,4)5)10-12-11(2)8-7-9-13(12)17(18)19/h7-9,14,16H,6,10H2,1-5H3
InChIKeyJYOIJCRKDJEDPB-UHFFFAOYSA-N
XLogP3.47
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-6-nitrophenyl)-N-propylbutan-2-amine
CID 115554126
3-methyl-1-(2-methyl-6-nitrophenyl)butan-2-ol
CID 115554163
N-ethyl-3,3-dimethyl-1-(2-nitrophenyl)sulfanylbutan-2-amine
CID 64611977
N-methyl-1-(2-methyl-6-nitrophenyl)pentan-2-amine
CID 115554130
N-ethyl-3,3-dimethyl-1-(2-nitrophenyl)sulfonylbutan-2-amine
CID 64646135
1-(5-chloro-2-nitrophenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 115472054
N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine
CID 115554117
methyl 2-chloro-3-(2-methyl-6-nitrophenyl)propanoate
CID 83194876
1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine
CID 115554145
N-ethyl-1-(3-methoxy-4-nitrophenyl)-3,3-dimethylbutan-2-amine
CID 63677111
2-(2-chloro-2-cyclopropylethyl)-1-methyl-3-nitrobenzene
CID 115554188
4-(2-chloro-6-nitrophenyl)-N-ethyl-3-methylbutan-2-amine
CID 63747177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine (CID 115554122) is N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine is CCNC(Cc1c(C)cccc1[N+](=O)[O-])C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine?
The InChIKey is JYOIJCRKDJEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-16-14(15(3,4)5)10-12-11(2)8-7-9-13(12)17(18)19/h7-9,14,16H,6,10H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine?
N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine is sourced from PubChem (CID 115554122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).