N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C17H26N2O — CID 82853997

IUPACN-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCc1cc(OC(C)C)ccc1NC1CCN2CCCC12
InChIInChI=1S/C17H26N2O/c1-12(2)20-14-6-7-15(13(3)11-14)18-16-8-10-19-9-4-5-17(16)19/h6-7,11-12,16-18H,4-5,8-10H2,1-3H3
InChIKeySVZCQYUJAGAJLV-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.43
Rot. Bonds4

About N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853997) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853997
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCc1cc(OC(C)C)ccc1NC1CCN2CCCC12
InChIInChI=1S/C17H26N2O/c1-12(2)20-14-6-7-15(13(3)11-14)18-16-8-10-19-9-4-5-17(16)19/h6-7,11-12,16-18H,4-5,8-10H2,1-3H3
InChIKeySVZCQYUJAGAJLV-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853997) is N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Cc1cc(OC(C)C)ccc1NC1CCN2CCCC12.
What is the InChIKey of N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is SVZCQYUJAGAJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)20-14-6-7-15(13(3)11-14)18-16-8-10-19-9-4-5-17(16)19/h6-7,11-12,16-18H,4-5,8-10H2,1-3H3.
What are the key properties of N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).