N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine

C14H32N2O — CID 79679402

IUPACN,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine
SMILESCC(C)CNCCCCOCC(C)(C)N(C)C
InChIInChI=1S/C14H32N2O/c1-13(2)11-15-9-7-8-10-17-12-14(3,4)16(5)6/h13,15H,7-12H2,1-6H3
InChIKeyUFRLNYOPSPTJKN-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds10

About N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine

N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine (PubChem CID 79679402) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine
PubChem CID79679402
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine
SMILESCC(C)CNCCCCOCC(C)(C)N(C)C
InChIInChI=1S/C14H32N2O/c1-13(2)11-15-9-7-8-10-17-12-14(3,4)16(5)6/h13,15H,7-12H2,1-6H3
InChIKeyUFRLNYOPSPTJKN-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
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

4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine
CID 102740718
2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
CID 158253210
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine
CID 114470839
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine (CID 79679402) is N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine is CC(C)CNCCCCOCC(C)(C)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine?
The InChIKey is UFRLNYOPSPTJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-13(2)11-15-9-7-8-10-17-12-14(3,4)16(5)6/h13,15H,7-12H2,1-6H3.
What are the key properties of N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine?
N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine is sourced from PubChem (CID 79679402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).