1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine

C16H30N2O — CID 102899508

IUPAC1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCC2(CCCCC2)O1)C(CN)C1CC1
InChIInChI=1S/C16H30N2O/c1-18(15(11-17)13-5-6-13)12-14-7-10-16(19-14)8-3-2-4-9-16/h13-15H,2-12,17H2,1H3
InChIKeyYSIIEMLNEQUOOO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.54
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 102899508) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
PubChem CID102899508
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCC2(CCCCC2)O1)C(CN)C1CC1
InChIInChI=1S/C16H30N2O/c1-18(15(11-17)13-5-6-13)12-14-7-10-16(19-14)8-3-2-4-9-16/h13-15H,2-12,17H2,1H3
InChIKeyYSIIEMLNEQUOOO-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 55034714
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900869
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102900998
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one
CID 106493098
3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896490
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine (CID 102899508) is 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine is CN(CC1CCC2(CCCCC2)O1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is YSIIEMLNEQUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-18(15(11-17)13-5-6-13)12-14-7-10-16(19-14)8-3-2-4-9-16/h13-15H,2-12,17H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 102899508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).