N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine

C14H31NO2 — CID 112587366

IUPACN-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine
SMILESCCCC(NC)C(CC)OCCOC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-7-9-12(15-6)13(8-2)16-10-11-17-14(3,4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyGXDVTLMYWDKHNT-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.98
Rot. Bonds9

About N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine

N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine (PubChem CID 112587366) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine
PubChem CID112587366
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine
SMILESCCCC(NC)C(CC)OCCOC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-7-9-12(15-6)13(8-2)16-10-11-17-14(3,4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyGXDVTLMYWDKHNT-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine
CID 112587358
3-(cyclohexylmethoxy)-N-methylheptan-4-amine
CID 55066438
3-cyclobutyloxy-N-methylheptan-4-amine
CID 62115090
3-heptoxy-N-propylheptan-4-amine
CID 63474937
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724
2-ethoxy-N-methylhexan-3-amine
CID 64534795
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine
CID 106447191
3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
CID 106201007
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
N-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112590002
4-ethoxy-N-methylpentadecan-5-amine
CID 116717810
3-[(2-methylpropan-2-yl)oxy]heptan-4-amine
CID 43127622

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine?
The IUPAC name of N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine (CID 112587366) is N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine.
What is the SMILES notation for N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine?
The canonical SMILES for N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine is CCCC(NC)C(CC)OCCOC(C)(C)C.
What is the InChIKey of N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine?
The InChIKey is GXDVTLMYWDKHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-7-9-12(15-6)13(8-2)16-10-11-17-14(3,4)5/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine?
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine has a molecular weight of 245.41 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine is sourced from PubChem (CID 112587366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).