N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine

C16H26N2O — CID 117018247

IUPACN,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine
SMILESCNC1CN(c2ccc(OC(C)C)cc2)C(C)(C)C1
InChIInChI=1S/C16H26N2O/c1-12(2)19-15-8-6-14(7-9-15)18-11-13(17-5)10-16(18,3)4/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyDOZKJMCBSOTKHK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.05
Rot. Bonds4

About N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine

N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine (PubChem CID 117018247) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine
PubChem CID117018247
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine
SMILESCNC1CN(c2ccc(OC(C)C)cc2)C(C)(C)C1
InChIInChI=1S/C16H26N2O/c1-12(2)19-15-8-6-14(7-9-15)18-11-13(17-5)10-16(18,3)4/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyDOZKJMCBSOTKHK-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018211
N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 116962676
3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 54973368
N-methyl-2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-3-yl]ethanamine
CID 112514852
N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine
CID 43315540
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
5,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]thian-3-amine
CID 79953352
N-methyl-4-propan-2-yloxyaniline
CID 18002910
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020196
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
(1R,5R)-3-(4-methoxyphenyl)-2,2-dioxo-N-(4-propan-2-yloxyphenyl)-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125064059
1-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 79778090

Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine?
The IUPAC name of N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine (CID 117018247) is N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine is CNC1CN(c2ccc(OC(C)C)cc2)C(C)(C)C1.
What is the InChIKey of N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine?
The InChIKey is DOZKJMCBSOTKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)19-15-8-6-14(7-9-15)18-11-13(17-5)10-16(18,3)4/h6-9,12-13,17H,10-11H2,1-5H3.
What are the key properties of N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine?
N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 117018247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).