N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine

C19H35NO — CID 102900503

IUPACN-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine
SMILESCC(C)(C)C(CNC1CC1)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C19H35NO/c1-18(2,3)15(14-20-16-7-8-16)13-17-9-12-19(21-17)10-5-4-6-11-19/h15-17,20H,4-14H2,1-3H3
InChIKeyZRKKUFUNHLSLOM-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.67
Rot. Bonds5

About N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine

N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine (PubChem CID 102900503) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine
PubChem CID102900503
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine
SMILESCC(C)(C)C(CNC1CC1)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C19H35NO/c1-18(2,3)15(14-20-16-7-8-16)13-17-9-12-19(21-17)10-5-4-6-11-19/h15-17,20H,4-14H2,1-3H3
InChIKeyZRKKUFUNHLSLOM-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
1-(cyclopropylamino)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-ol
CID 102901951
N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine
CID 102900242
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
3-methyl-N-(2-methylpropyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900270
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 116523803
2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
CID 102900542
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
CID 102902077
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane
CID 102899958

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine?
The IUPAC name of N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine (CID 102900503) is N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine is CC(C)(C)C(CNC1CC1)CC1CCC2(CCCCC2)O1.
What is the InChIKey of N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine?
The InChIKey is ZRKKUFUNHLSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-18(2,3)15(14-20-16-7-8-16)13-17-9-12-19(21-17)10-5-4-6-11-19/h15-17,20H,4-14H2,1-3H3.
What are the key properties of N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine?
N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine has a molecular weight of 293.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine is sourced from PubChem (CID 102900503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).