N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine

C11H25NO — CID 123627264

IUPACN-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)COC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-8-12(9-7-2)10-13-11(3,4)5/h6-10H2,1-5H3
InChIKeyPKBYTJZYUCZBKQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.88
Rot. Bonds6

About N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine

N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine (PubChem CID 123627264) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine
PubChem CID123627264
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)COC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-8-12(9-7-2)10-13-11(3,4)5/h6-10H2,1-5H3
InChIKeyPKBYTJZYUCZBKQ-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
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

N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
CID 22960539
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
N,N-dipropylpropan-1-amine;propane
CID 174574210
N-(methoxymethyl)-N-propylbutan-1-amine
CID 87396533
N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]butan-2-amine
CID 123760807
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
1-[(2-hydroxy-2-methylpropyl)-propylamino]-2-methylpropan-2-ol
CID 175894515
methane;tris(2-methyl-2-propoxypropane)
CID 160767059

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine (CID 123627264) is N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine is CCCN(CCC)COC(C)(C)C.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine?
The InChIKey is PKBYTJZYUCZBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-8-12(9-7-2)10-13-11(3,4)5/h6-10H2,1-5H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine?
N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxymethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 123627264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).