N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine

C15H33NO — CID 89008827

IUPACN-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine
SMILESCCC(C)NCCCOCCC(C)(CC)CC
InChIInChI=1S/C15H33NO/c1-6-14(4)16-11-9-12-17-13-10-15(5,7-2)8-3/h14,16H,6-13H2,1-5H3
InChIKeyFBVLSOBVMSPXNV-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds11

About N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine

N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine (PubChem CID 89008827) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine
PubChem CID89008827
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine
SMILESCCC(C)NCCCOCCC(C)(CC)CC
InChIInChI=1S/C15H33NO/c1-6-14(4)16-11-9-12-17-13-10-15(5,7-2)8-3/h14,16H,6-13H2,1-5H3
InChIKeyFBVLSOBVMSPXNV-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine?
The IUPAC name of N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine (CID 89008827) is N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine.
What is the SMILES notation for N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine?
The canonical SMILES for N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine is CCC(C)NCCCOCCC(C)(CC)CC.
What is the InChIKey of N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine?
The InChIKey is FBVLSOBVMSPXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-6-14(4)16-11-9-12-17-13-10-15(5,7-2)8-3/h14,16H,6-13H2,1-5H3.
What are the key properties of N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine?
N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethyl-3-methylpentoxy)propyl]butan-2-amine is sourced from PubChem (CID 89008827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).