1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine

C16H29NO — CID 102901280

IUPAC1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
SMILESNC(CCCC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C16H29NO/c17-15(13-7-8-13)6-4-5-14-9-12-16(18-14)10-2-1-3-11-16/h13-15H,1-12,17H2
InChIKeyBGSUOUMTTQRHBD-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.78
Rot. Bonds5

About 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine

1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine (PubChem CID 102901280) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
PubChem CID102901280
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
SMILESNC(CCCC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C16H29NO/c17-15(13-7-8-13)6-4-5-14-9-12-16(18-14)10-2-1-3-11-16/h13-15H,1-12,17H2
InChIKeyBGSUOUMTTQRHBD-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-1-oxaspiro[4.5]decane
CID 154513555
N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine
CID 102901309
5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine
CID 102899087
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326
2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane
CID 102899975
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine
CID 130585875
(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106702778

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine (CID 102901280) is 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine is NC(CCCC1CCC2(CCCCC2)O1)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine?
The InChIKey is BGSUOUMTTQRHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c17-15(13-7-8-13)6-4-5-14-9-12-16(18-14)10-2-1-3-11-16/h13-15H,1-12,17H2.
What are the key properties of 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine?
1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine is sourced from PubChem (CID 102901280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).