1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol

C14H27NO — CID 102952417

IUPAC1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol
SMILESCCCC(O)CNC1CCC12CCCCC2
InChIInChI=1S/C14H27NO/c1-2-6-12(16)11-15-13-7-10-14(13)8-4-3-5-9-14/h12-13,15-16H,2-11H2,1H3
InChIKeyGKTBLBMOWZLEQS-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds5

About 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol

1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol (PubChem CID 102952417) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol
PubChem CID102952417
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol
SMILESCCCC(O)CNC1CCC12CCCCC2
InChIInChI=1S/C14H27NO/c1-2-6-12(16)11-15-13-7-10-14(13)8-4-3-5-9-14/h12-13,15-16H,2-11H2,1H3
InChIKeyGKTBLBMOWZLEQS-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
CID 102951950
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102952410
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N-pentan-2-ylspiro[3.5]nonan-3-amine
CID 102951172
(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
CID 164658810
N-hexan-3-ylspiro[3.5]nonan-3-amine
CID 102951793
N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine
CID 102951540
N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine
CID 102952412
1-[(2-ethylcyclopentyl)amino]pentan-2-ol
CID 115719434
N-(2-fluoroethyl)spiro[3.5]nonan-3-amine
CID 130503965
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849

Frequently Asked Questions

What is the IUPAC name of 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol?
The IUPAC name of 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol (CID 102952417) is 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol.
What is the SMILES notation for 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol?
The canonical SMILES for 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol is CCCC(O)CNC1CCC12CCCCC2.
What is the InChIKey of 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol?
The InChIKey is GKTBLBMOWZLEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-6-12(16)11-15-13-7-10-14(13)8-4-3-5-9-14/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol?
1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol is sourced from PubChem (CID 102952417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).