(1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]

C19H36N2 — CID 10708818

IUPAC(1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
SMILESCC(C)CN1C[C@@H]2CN(C(C)C)C[C@H](C1)C21CCCCC1
InChIInChI=1S/C19H36N2/c1-15(2)10-20-11-17-13-21(16(3)4)14-18(12-20)19(17)8-6-5-7-9-19/h15-18H,5-14H2,1-4H3/t17-,18+
InChIKeyAOIVZQPSIHOHMP-HDICACEKSA-N
MW292.51 g/mol
LogP3.86
Rot. Bonds3

About (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]

(1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] (PubChem CID 10708818) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane].

Molecular Properties

Compound Name(1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
PubChem CID10708818
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
SMILESCC(C)CN1C[C@@H]2CN(C(C)C)C[C@H](C1)C21CCCCC1
InChIInChI=1S/C19H36N2/c1-15(2)10-20-11-17-13-21(16(3)4)14-18(12-20)19(17)8-6-5-7-9-19/h15-18H,5-14H2,1-4H3/t17-,18+
InChIKeyAOIVZQPSIHOHMP-HDICACEKSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]?
The IUPAC name of (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] (CID 10708818) is (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane].
What is the SMILES notation for (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]?
The canonical SMILES for (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] is CC(C)CN1C[C@@H]2CN(C(C)C)C[C@H](C1)C21CCCCC1.
What is the InChIKey of (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]?
The InChIKey is AOIVZQPSIHOHMP-HDICACEKSA-N. The full InChI is InChI=1S/C19H36N2/c1-15(2)10-20-11-17-13-21(16(3)4)14-18(12-20)19(17)8-6-5-7-9-19/h15-18H,5-14H2,1-4H3/t17-,18+.
What are the key properties of (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]?
(1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] has a molecular weight of 292.51 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] is sourced from PubChem (CID 10708818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).