N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine

C13H29NO — CID 106454434

IUPACN,3-diethyl-5-(2-methylpropoxy)pentan-2-amine
SMILESCCNC(C)C(CC)CCOCC(C)C
InChIInChI=1S/C13H29NO/c1-6-13(12(5)14-7-2)8-9-15-10-11(3)4/h11-14H,6-10H2,1-5H3
InChIKeySEORZLPHEDMGFM-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds9

About N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine

N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine (PubChem CID 106454434) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine.

Molecular Properties

Compound NameN,3-diethyl-5-(2-methylpropoxy)pentan-2-amine
PubChem CID106454434
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN,3-diethyl-5-(2-methylpropoxy)pentan-2-amine
SMILESCCNC(C)C(CC)CCOCC(C)C
InChIInChI=1S/C13H29NO/c1-6-13(12(5)14-7-2)8-9-15-10-11(3)4/h11-14H,6-10H2,1-5H3
InChIKeySEORZLPHEDMGFM-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-N,3-diethylpentan-2-amine
CID 60999530
N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590492
5-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 60999751
N-[3-(2-methylpropoxy)propyl]pentan-3-amine
CID 28681675
N,3-diethyl-5-methylhexan-2-amine
CID 54129064
N,3-diethyl-6,6-dimethylheptan-2-amine
CID 61481134
N-ethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-3-amine
CID 106447397
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine
CID 106447191
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane
CID 106459621
3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
CID 106459451
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine?
The IUPAC name of N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine (CID 106454434) is N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine.
What is the SMILES notation for N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine?
The canonical SMILES for N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine is CCNC(C)C(CC)CCOCC(C)C.
What is the InChIKey of N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine?
The InChIKey is SEORZLPHEDMGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-13(12(5)14-7-2)8-9-15-10-11(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine?
N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine is sourced from PubChem (CID 106454434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).