3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol

C15H31NO2 — CID 115252302

IUPAC3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol
SMILESCC(C)C(CO)CNCC(C)(C)C1CCOCC1
InChIInChI=1S/C15H31NO2/c1-12(2)13(10-17)9-16-11-15(3,4)14-5-7-18-8-6-14/h12-14,16-17H,5-11H2,1-4H3
InChIKeySYGLOVUDWNXGGO-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.29
Rot. Bonds7

About 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol

3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol (PubChem CID 115252302) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol
PubChem CID115252302
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol
SMILESCC(C)C(CO)CNCC(C)(C)C1CCOCC1
InChIInChI=1S/C15H31NO2/c1-12(2)13(10-17)9-16-11-15(3,4)14-5-7-18-8-6-14/h12-14,16-17H,5-11H2,1-4H3
InChIKeySYGLOVUDWNXGGO-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
N-(2-cyclopentyl-2-methylpropyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252969
methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate
CID 115233259
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
2-methyl-3-[[2-methyl-2-(oxan-4-yl)propyl]amino]-3-oxopropanoic acid
CID 115164424
N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide
CID 115194315
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
4-(2-methylbutan-2-yl)oxane
CID 91527752
1-(hydroxymethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclopropane-1-carboxamide
CID 115182500
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
CID 138023760
2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol
CID 126978853
2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine
CID 55107237

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol (CID 115252302) is 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol is CC(C)C(CO)CNCC(C)(C)C1CCOCC1.
What is the InChIKey of 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol?
The InChIKey is SYGLOVUDWNXGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)13(10-17)9-16-11-15(3,4)14-5-7-18-8-6-14/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol?
3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 115252302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).