(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine

C14H31NO — CID 59906417

IUPAC(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine
SMILESCC(C)C[C@@H](COC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C14H31NO/c1-11(2)9-12(15-13(3,4)5)10-16-14(6,7)8/h11-12,15H,9-10H2,1-8H3/t12-/m0/s1
InChIKeyXIJGPBBHDVGYDO-LBPRGKRZSA-N
MW229.41 g/mol
LogP3.60
Rot. Bonds5

About (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine

(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine (PubChem CID 59906417) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine
PubChem CID59906417
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine
SMILESCC(C)C[C@@H](COC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C14H31NO/c1-11(2)9-12(15-13(3,4)5)10-16-14(6,7)8/h11-12,15H,9-10H2,1-8H3/t12-/m0/s1
InChIKeyXIJGPBBHDVGYDO-LBPRGKRZSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 59906425
2-methyl-N-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]propan-2-amine
CID 72592893
2-(tert-butylamino)-4-methylpentan-1-ol
CID 20608688
(2R)-2,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 174384089
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724
N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
CID 105107974
tert-butyl N-(1-hydroperoxy-4-methylpentan-2-yl)carbamate
CID 23598208
methyl (2S)-2-[[(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-methylpentanoate
CID 129404472
2-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64803991
2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64802946
[1-ethoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105321343
2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 167788378

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
The IUPAC name of (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine (CID 59906417) is (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine.
What is the SMILES notation for (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
The canonical SMILES for (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine is CC(C)C[C@@H](COC(C)(C)C)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
The InChIKey is XIJGPBBHDVGYDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H31NO/c1-11(2)9-12(15-13(3,4)5)10-16-14(6,7)8/h11-12,15H,9-10H2,1-8H3/t12-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine is sourced from PubChem (CID 59906417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).