N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine

C15H27NO — CID 114229758

IUPACN-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine
SMILESCC1CC2(CC(C)O1)C(CNC1CC1)C2(C)C
InChIInChI=1S/C15H27NO/c1-10-7-15(8-11(2)17-10)13(14(15,3)4)9-16-12-5-6-12/h10-13,16H,5-9H2,1-4H3
InChIKeySKRMFYGWEOKLHV-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds3

About N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine

N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine (PubChem CID 114229758) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine
PubChem CID114229758
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine
SMILESCC1CC2(CC(C)O1)C(CNC1CC1)C2(C)C
InChIInChI=1S/C15H27NO/c1-10-7-15(8-11(2)17-10)13(14(15,3)4)9-16-12-5-6-12/h10-13,16H,5-9H2,1-4H3
InChIKeySKRMFYGWEOKLHV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79352031
N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine
CID 114229747
2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxan-4-amine
CID 79351790
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine
CID 66475934
4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79352504
N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
CID 115401436
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine
CID 130555268
N-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
CID 82834063
N-[(2,4,5-trimethyloxolan-3-yl)methyl]cyclopropanamine
CID 65156408
2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine
CID 114229845
N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
CID 114229715

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine (CID 114229758) is N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine is CC1CC2(CC(C)O1)C(CNC1CC1)C2(C)C.
What is the InChIKey of N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine?
The InChIKey is SKRMFYGWEOKLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10-7-15(8-11(2)17-10)13(14(15,3)4)9-16-12-5-6-12/h10-13,16H,5-9H2,1-4H3.
What are the key properties of N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine?
N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine has a molecular weight of 237.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114229758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).