2-(3-methylbutoxy)butan-2-amine

C9H21NO — CID 176953255

IUPAC2-(3-methylbutoxy)butan-2-amine
SMILESCCC(C)(N)OCCC(C)C
InChIInChI=1S/C9H21NO/c1-5-9(4,10)11-7-6-8(2)3/h8H,5-7,10H2,1-4H3
InChIKeyYJIJAQHBFUDZKF-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.13
Rot. Bonds5

About 2-(3-methylbutoxy)butan-2-amine

2-(3-methylbutoxy)butan-2-amine (PubChem CID 176953255) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-(3-methylbutoxy)butan-2-amine.

Molecular Properties

Compound Name2-(3-methylbutoxy)butan-2-amine
PubChem CID176953255
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-(3-methylbutoxy)butan-2-amine
SMILESCCC(C)(N)OCCC(C)C
InChIInChI=1S/C9H21NO/c1-5-9(4,10)11-7-6-8(2)3/h8H,5-7,10H2,1-4H3
InChIKeyYJIJAQHBFUDZKF-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6,6-dimethyl-2-(3-methylbutoxy)heptan-4-one
CID 167018101
3-methyl-3-(3-methylbutoxy)hexane
CID 91309958
3-methylbutyl 2-amino-2-methylbutanoate
CID 79798258
2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine
CID 123534203
2-(2-methoxypropoxy)butan-2-amine
CID 121478464
2-methyl-1-(3-methylbutoxy)propan-2-amine
CID 64537569
methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane
CID 178134897
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
2-methylbutan-2-amine;3-methylbutan-1-amine
CID 159699136
propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
CID 167513215
5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine
CID 112592208
3,6-dimethylheptan-3-amine;ethane
CID 156844908

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)butan-2-amine?
The IUPAC name of 2-(3-methylbutoxy)butan-2-amine (CID 176953255) is 2-(3-methylbutoxy)butan-2-amine.
What is the SMILES notation for 2-(3-methylbutoxy)butan-2-amine?
The canonical SMILES for 2-(3-methylbutoxy)butan-2-amine is CCC(C)(N)OCCC(C)C.
What is the InChIKey of 2-(3-methylbutoxy)butan-2-amine?
The InChIKey is YJIJAQHBFUDZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(4,10)11-7-6-8(2)3/h8H,5-7,10H2,1-4H3.
What are the key properties of 2-(3-methylbutoxy)butan-2-amine?
2-(3-methylbutoxy)butan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)butan-2-amine is sourced from PubChem (CID 176953255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).