N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C19H36N2 — CID 104574898

IUPACN-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(C)(C)C1CCC(CNC2CCN3CCCCC23)CC1
InChIInChI=1S/C19H36N2/c1-19(2,3)16-9-7-15(8-10-16)14-20-17-11-13-21-12-5-4-6-18(17)21/h15-18,20H,4-14H2,1-3H3
InChIKeyBWJDCHAYDHMUTH-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.06
Rot. Bonds3

About N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 104574898) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID104574898
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(C)(C)C1CCC(CNC2CCN3CCCCC23)CC1
InChIInChI=1S/C19H36N2/c1-19(2,3)16-9-7-15(8-10-16)14-20-17-11-13-21-12-5-4-6-18(17)21/h15-18,20H,4-14H2,1-3H3
InChIKeyBWJDCHAYDHMUTH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]cyclopentan-1-ol
CID 106120890
N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80554243
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 114515203
3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol
CID 106120741
1-(2-tert-butylcyclohexyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115306973
N-[(4-tert-butylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694267
2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
CID 55032625
N-[(4-tert-butylcyclohexyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 104574757
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 79611466
N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62311545
N-[(2-methyloxolan-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 114104968
N-[(1-methylpyrrolidin-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106023953

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 104574898) is N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC(C)(C)C1CCC(CNC2CCN3CCCCC23)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is BWJDCHAYDHMUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-19(2,3)16-9-7-15(8-10-16)14-20-17-11-13-21-12-5-4-6-18(17)21/h15-18,20H,4-14H2,1-3H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 104574898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).