N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C14H28N2O — CID 103033505

IUPACN-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCOC(C)(C)CCNC1CCN2CCCC2C1
InChIInChI=1S/C14H28N2O/c1-14(2,17-3)7-8-15-12-6-10-16-9-4-5-13(16)11-12/h12-13,15H,4-11H2,1-3H3
InChIKeyQTJUNDPTUFDZHM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 103033505) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID103033505
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCOC(C)(C)CCNC1CCN2CCCC2C1
InChIInChI=1S/C14H28N2O/c1-14(2,17-3)7-8-15-12-6-10-16-9-4-5-13(16)11-12/h12-13,15H,4-11H2,1-3H3
InChIKeyQTJUNDPTUFDZHM-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

1-cyclopropyl-N-(3-methoxy-3-methylbutyl)piperidin-4-amine
CID 106675336
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
CID 109395540
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104562707
N-(3-methoxy-3-methylbutyl)-1-methylpiperidin-3-amine
CID 106675409
(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
CID 107270318
N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115894020
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide
CID 115765451
N-[2-(2-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847588
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide
CID 103917229
N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115765456

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 103033505) is N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is COC(C)(C)CCNC1CCN2CCCC2C1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is QTJUNDPTUFDZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,17-3)7-8-15-12-6-10-16-9-4-5-13(16)11-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 103033505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).