(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol

C11H25NO2 — CID 153489696

IUPAC(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)CCCN[C@@H](O)OC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)7-6-8-12-10(13)14-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyBCILPRKLBDKSIS-JTQLQIEISA-N
MW203.33 g/mol
LogP2.10
Rot. Bonds6

About (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol

(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 153489696) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID153489696
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)CCCN[C@@H](O)OC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)7-6-8-12-10(13)14-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyBCILPRKLBDKSIS-JTQLQIEISA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol
CID 134403228
4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid
CID 126571794
1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine
CID 106354031
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
methyl (2S)-2-amino-3-[[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]propanoate
CID 58674394
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 103600467
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine
CID 123202708

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol (CID 153489696) is (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol is CC(C)CCCN[C@@H](O)OC(C)(C)C.
What is the InChIKey of (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is BCILPRKLBDKSIS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)7-6-8-12-10(13)14-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3/t10-/m0/s1.
What are the key properties of (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol?
(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 203.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 153489696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).