(2S)-4-methyl-1-propan-2-yloxypentan-2-amine

C9H21NO — CID 28802452

IUPAC(2S)-4-methyl-1-propan-2-yloxypentan-2-amine
SMILESCC(C)C[C@H](N)COC(C)C
InChIInChI=1S/C9H21NO/c1-7(2)5-9(10)6-11-8(3)4/h7-9H,5-6,10H2,1-4H3/t9-/m0/s1
InChIKeyGHNYRPOCPVEYJL-VIFPVBQESA-N
MW159.27 g/mol
LogP1.78
Rot. Bonds5

About (2S)-4-methyl-1-propan-2-yloxypentan-2-amine

(2S)-4-methyl-1-propan-2-yloxypentan-2-amine (PubChem CID 28802452) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-4-methyl-1-propan-2-yloxypentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-propan-2-yloxypentan-2-amine
PubChem CID28802452
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-4-methyl-1-propan-2-yloxypentan-2-amine
SMILESCC(C)C[C@H](N)COC(C)C
InChIInChI=1S/C9H21NO/c1-7(2)5-9(10)6-11-8(3)4/h7-9H,5-6,10H2,1-4H3/t9-/m0/s1
InChIKeyGHNYRPOCPVEYJL-VIFPVBQESA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methoxy-3-propan-2-yloxypropan-2-amine
CID 164877074
6-methyl-1-propan-2-yloxyheptan-2-amine
CID 105177020
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
5,5-dimethyl-1-propan-2-yloxyhexan-2-amine
CID 105140004
1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine
CID 115346211
1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine
CID 105101467
2-(2-amino-4-methylpentoxy)acetonitrile
CID 177282037
(2-amino-4-methylpentyl) hydrogen sulfate
CID 73425010
4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol
CID 138690403
(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine
CID 58738316
methyl 3-amino-4-propan-2-yloxybutanoate
CID 116821262

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-propan-2-yloxypentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-propan-2-yloxypentan-2-amine (CID 28802452) is (2S)-4-methyl-1-propan-2-yloxypentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-propan-2-yloxypentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-propan-2-yloxypentan-2-amine is CC(C)C[C@H](N)COC(C)C.
What is the InChIKey of (2S)-4-methyl-1-propan-2-yloxypentan-2-amine?
The InChIKey is GHNYRPOCPVEYJL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)5-9(10)6-11-8(3)4/h7-9H,5-6,10H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-1-propan-2-yloxypentan-2-amine?
(2S)-4-methyl-1-propan-2-yloxypentan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-propan-2-yloxypentan-2-amine is sourced from PubChem (CID 28802452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).