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

C14H27NO — CID 102952410

IUPAC3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
SMILESCC(C)C(O)CNC1CCC12CCCCC2
InChIInChI=1S/C14H27NO/c1-11(2)12(16)10-15-13-6-9-14(13)7-4-3-5-8-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyRSSKWELOOWQNSO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.71
Rot. Bonds4

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

3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol (PubChem CID 102952410) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
PubChem CID102952410
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
SMILESCC(C)C(O)CNC1CCC12CCCCC2
InChIInChI=1S/C14H27NO/c1-11(2)12(16)10-15-13-6-9-14(13)7-4-3-5-8-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyRSSKWELOOWQNSO-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol
CID 102952417
1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
CID 102951950
(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
CID 164658810
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
CID 128875139
N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine
CID 102952412
(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol
CID 131107125
2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide
CID 106276191
1-(dimethylamino)-2-methyl-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
CID 106147471
4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol
CID 106147029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol?
The IUPAC name of 3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol (CID 102952410) is 3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol?
The canonical SMILES for 3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol is CC(C)C(O)CNC1CCC12CCCCC2.
What is the InChIKey of 3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol?
The InChIKey is RSSKWELOOWQNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)12(16)10-15-13-6-9-14(13)7-4-3-5-8-14/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol?
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol is sourced from PubChem (CID 102952410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).