2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine

C9H21NO — CID 163640187

IUPAC2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine
SMILESCCC(CN)O[C@H](C)C(C)C
InChIInChI=1S/C9H21NO/c1-5-9(6-10)11-8(4)7(2)3/h7-9H,5-6,10H2,1-4H3/t8-,9?/m1/s1
InChIKeyIDOVAEQGNICEDE-VEDVMXKPSA-N
MW159.27 g/mol
LogP1.78
Rot. Bonds5

About 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine

2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine (PubChem CID 163640187) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine.

Molecular Properties

Compound Name2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine
PubChem CID163640187
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine
SMILESCCC(CN)O[C@H](C)C(C)C
InChIInChI=1S/C9H21NO/c1-5-9(6-10)11-8(4)7(2)3/h7-9H,5-6,10H2,1-4H3/t8-,9?/m1/s1
InChIKeyIDOVAEQGNICEDE-VEDVMXKPSA-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)-2-methoxybutan-1-amine
CID 42427147
ethane;2-ethoxybutan-1-amine
CID 176948064
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
(3R)-2-methyl-3-propan-2-yloxybutane
CID 40522025
3,6-di(propan-2-yloxy)octane
CID 175258426
ethane-1,2-diol;2-methyl-3-(3-methylbutan-2-yloxy)butane
CID 118467120
ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane
CID 87296519
2,3-dimethylbutane;ethanamine
CID 130404430
2,2-di(butan-2-yloxy)ethanamine;hydrobromide
CID 173067148
2-ethyl-3-methoxybutan-1-amine
CID 88936076
3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol
CID 106676531

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine?
The IUPAC name of 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine (CID 163640187) is 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine.
What is the SMILES notation for 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine?
The canonical SMILES for 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine is CCC(CN)O[C@H](C)C(C)C.
What is the InChIKey of 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine?
The InChIKey is IDOVAEQGNICEDE-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(6-10)11-8(4)7(2)3/h7-9H,5-6,10H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine?
2-[(2R)-3-methylbutan-2-yl]oxybutan-1-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 2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine is sourced from PubChem (CID 163640187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).