3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine

C13H29NO — CID 62528171

IUPAC3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine
SMILESCC(C)NCC(CCOC(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-10(2)13(9-14-11(3)4)7-8-15-12(5)6/h10-14H,7-9H2,1-6H3
InChIKeyOMWLKCBXLXXMHG-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds8

About 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine

3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine (PubChem CID 62528171) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine
PubChem CID62528171
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine
SMILESCC(C)NCC(CCOC(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-10(2)13(9-14-11(3)4)7-8-15-12(5)6/h10-14H,7-9H2,1-6H3
InChIKeyOMWLKCBXLXXMHG-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 62528154
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
CID 157036014
N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine
CID 156850160
2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 62516134
3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine
CID 62456225
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine
CID 114997752
ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 143592734
4-propan-2-yloxybutan-2-ylhydrazine
CID 130964571
N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83139596
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine (CID 62528171) is 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine is CC(C)NCC(CCOC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine?
The InChIKey is OMWLKCBXLXXMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-10(2)13(9-14-11(3)4)7-8-15-12(5)6/h10-14H,7-9H2,1-6H3.
What are the key properties of 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine?
3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine is sourced from PubChem (CID 62528171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).