4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol

C16H31NO — CID 106147029

IUPAC4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNC1CCC12CCCCC2
InChIInChI=1S/C16H31NO/c1-15(2,8-6-12-18)13-17-14-7-11-16(14)9-4-3-5-10-16/h14,17-18H,3-13H2,1-2H3
InChIKeyXXKLQHPLBFWCMH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.49
Rot. Bonds6

About 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol

4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol (PubChem CID 106147029) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol
PubChem CID106147029
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNC1CCC12CCCCC2
InChIInChI=1S/C16H31NO/c1-15(2,8-6-12-18)13-17-14-7-11-16(14)9-4-3-5-10-16/h14,17-18H,3-13H2,1-2H3
InChIKeyXXKLQHPLBFWCMH-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-[1-(methylaminomethyl)cyclohexyl]propan-1-ol
CID 70050170
6-Ethyl-2,6,7-trimethyl-2-[3-(propan-2-ylamino)propyl]octan-1-ol
CID 90969879
(5-Methyl-azacyclotridec-5-yl)methanol
CID 124173520
7-(Methylamino)spiro[3.5]nonan-2-ol
CID 166733710
2-(Methylamino)spiro[3.5]nonan-7-ol
CID 171536845
7-Azaspiro[3.5]nonan-2-ol;ethylcyclohexane
CID 177967478
5-[(4-Ethylcyclohexyl)methylamino]pentan-1-ol
CID 62227155
5-[(4-Propylcyclohexyl)amino]pentan-1-ol
CID 62227160
5-[(2-Methylcyclohexyl)amino]pentan-1-ol
CID 62227333
5-[(3-Methylcyclohexyl)amino]pentan-1-ol
CID 62227713
5-[(4-Methylcyclohexyl)amino]pentan-1-ol
CID 62227885
5-[(2-Ethylcyclohexyl)amino]pentan-1-ol
CID 62227904

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol (CID 106147029) is 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol is CC(C)(CCCO)CNC1CCC12CCCCC2.
What is the InChIKey of 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol?
The InChIKey is XXKLQHPLBFWCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,8-6-12-18)13-17-14-7-11-16(14)9-4-3-5-10-16/h14,17-18H,3-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol?
4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol is sourced from PubChem (CID 106147029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).