1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane

C12H24N2 — CID 166569331

IUPAC1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CCN2C(C)(C)C)C1
InChIInChI=1S/C12H24N2/c1-10(2)13-8-12(9-13)6-7-14(12)11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNATWFVWPSNWJDI-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.95
Rot. Bonds1

About 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane

1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane (PubChem CID 166569331) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
PubChem CID166569331
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CCN2C(C)(C)C)C1
InChIInChI=1S/C12H24N2/c1-10(2)13-8-12(9-13)6-7-14(12)11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNATWFVWPSNWJDI-UHFFFAOYSA-N
XLogP1.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
CID 177071314
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
8-propan-2-yl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 170571730
3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 135165727
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 157227822
1,3-di(propan-2-yl)pyrrolidin-3-ol
CID 171831461
2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-amine
CID 134436171
4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane
CID 174296005
3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 166826440

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane?
The IUPAC name of 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane (CID 166569331) is 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane?
The canonical SMILES for 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane is CC(C)N1CC2(CCN2C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane?
The InChIKey is NATWFVWPSNWJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)13-8-12(9-13)6-7-14(12)11(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane?
1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane has a molecular weight of 196.34 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 166569331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).