2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine

C16H24N2O3 — CID 66358081

IUPAC2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc(C)c2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C16H24N2O3/c1-5-9-17-13-10-14(16(13,3)4)21-12-8-6-7-11(2)15(12)18(19)20/h6-8,13-14,17H,5,9-10H2,1-4H3
InChIKeyWQGBBVRTLRTZIK-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.45
Rot. Bonds6

About 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine

2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66358081) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
PubChem CID66358081
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc(C)c2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C16H24N2O3/c1-5-9-17-13-10-14(16(13,3)4)21-12-8-6-7-11(2)15(12)18(19)20/h6-8,13-14,17H,5,9-10H2,1-4H3
InChIKeyWQGBBVRTLRTZIK-UHFFFAOYSA-N
XLogP3.45
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
2,2-dimethyl-N-propyl-3-quinolin-5-yloxycyclobutan-1-amine
CID 103046085
3-bromo-1-(3-methyl-2-nitrophenoxy)spiro[3.4]octane
CID 66345981
N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358965
3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66352890
2-ethoxy-3-(3-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676363
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methoxy-2-nitroaniline
CID 104917678
2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine
CID 81416896
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357740
(3-methyl-2-nitrophenyl) propane-1-sulfonate
CID 117063881

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine (CID 66358081) is 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cccc(C)c2[N+](=O)[O-])C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is WQGBBVRTLRTZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-9-17-13-10-14(16(13,3)4)21-12-8-6-7-11(2)15(12)18(19)20/h6-8,13-14,17H,5,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine?
2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 292.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66358081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).