2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane

C23H42N2 — CID 139818661

IUPAC2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane
SMILESCCCC1(CCC)CCC2(CCN(C3C[C@H]4CC[C@@H](C3)N4C)C2)CC1
InChIInChI=1S/C23H42N2/c1-4-8-22(9-5-2)10-12-23(13-11-22)14-15-25(18-23)21-16-19-6-7-20(17-21)24(19)3/h19-21H,4-18H2,1-3H3/t19-,20+,21?
InChIKeySNZJHYCCUYDPDV-WCRBZPEASA-N
MW346.60 g/mol
LogP5.46
Rot. Bonds5

About 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane

2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane (PubChem CID 139818661) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane
PubChem CID139818661
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Name2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane
SMILESCCCC1(CCC)CCC2(CCN(C3C[C@H]4CC[C@@H](C3)N4C)C2)CC1
InChIInChI=1S/C23H42N2/c1-4-8-22(9-5-2)10-12-23(13-11-22)14-15-25(18-23)21-16-19-6-7-20(17-21)24(19)3/h19-21H,4-18H2,1-3H3/t19-,20+,21?
InChIKeySNZJHYCCUYDPDV-WCRBZPEASA-N
XLogP5.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-(1-Piperidinyl)propyl)-8,8-dipropyl-2-azaspiro(4.5)decane
CID 129872
2-Azaspiro[4.5]decane, 8,8-dipropyl-2-[3-(1-pyrrolidinyl)propyl]-
CID 9927675
3-(3-azadispiro[4.2.68.25]hexadecan-3-yl)-N,N-dimethylpropan-1-amine
CID 9948491
(1R,4R)-2-tert-butyl-5-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841352
2-Tert-butyl-5-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841402
(1S,4S)-2-tert-butyl-5-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841758
2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl-
CID 9800596
8,8-Dipropyl-2-(6-pyrrolidin-1-ylhexyl)-2-azaspiro[4.5]decane
CID 9864478
8,8-Diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane
CID 14836351
8,8-Diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane
CID 14836352
3-[4,4-Dimethyl-3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]pentyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 58400651
2-(5-Piperidin-1-ylpentyl)-8,8-dipropyl-2-azaspiro[4.5]decane
CID 59966463

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane?
The IUPAC name of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane (CID 139818661) is 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane is CCCC1(CCC)CCC2(CCN(C3C[C@H]4CC[C@@H](C3)N4C)C2)CC1.
What is the InChIKey of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane?
The InChIKey is SNZJHYCCUYDPDV-WCRBZPEASA-N. The full InChI is InChI=1S/C23H42N2/c1-4-8-22(9-5-2)10-12-23(13-11-22)14-15-25(18-23)21-16-19-6-7-20(17-21)24(19)3/h19-21H,4-18H2,1-3H3/t19-,20+,21?.
What are the key properties of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane?
2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane has a molecular weight of 346.60 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-8,8-dipropyl-2-azaspiro[4.5]decane is sourced from PubChem (CID 139818661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).