4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol

C16H31NO — CID 114817532

IUPAC4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol
SMILESCC(C)CC(CO)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H31NO/c1-13(2)11-15(12-18)17-14-5-9-16(10-6-14)7-3-4-8-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyUSKYTZJAGGZAAA-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.49
Rot. Bonds5

About 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol

4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol (PubChem CID 114817532) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol
PubChem CID114817532
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol
SMILESCC(C)CC(CO)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H31NO/c1-13(2)11-15(12-18)17-14-5-9-16(10-6-14)7-3-4-8-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyUSKYTZJAGGZAAA-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817249
4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 65091413
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
CID 65079779
2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol
CID 61242205
2-(spiro[4.5]decan-8-ylamino)propanoic acid
CID 114817551
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol
CID 61247146
2-[(3-aminocyclohexyl)amino]-4-methylpentan-1-ol
CID 79459156
N-(1-cyclopropylethyl)spiro[4.5]decan-8-amine
CID 114817251
3-(cyclopropylamino)-5-methylhexan-1-ol
CID 112708679
N-pentan-2-ylspiro[4.5]decan-8-amine
CID 114817029
4-methyl-2-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 65045844

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol?
The IUPAC name of 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol (CID 114817532) is 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol is CC(C)CC(CO)NC1CCC2(CCCC2)CC1.
What is the InChIKey of 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol?
The InChIKey is USKYTZJAGGZAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)11-15(12-18)17-14-5-9-16(10-6-14)7-3-4-8-16/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol?
4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol is sourced from PubChem (CID 114817532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).