N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine

C16H32N2O — CID 57164007

IUPACN-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine
SMILESCC(C)(C)NCCC=COC=CCCNC(C)(C)C
InChIInChI=1S/C16H32N2O/c1-15(2,3)17-11-7-9-13-19-14-10-8-12-18-16(4,5)6/h9-10,13-14,17-18H,7-8,11-12H2,1-6H3
InChIKeyVBSUDHAGBFIEKI-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.59
Rot. Bonds8

About N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine

N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine (PubChem CID 57164007) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine
PubChem CID57164007
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine
SMILESCC(C)(C)NCCC=COC=CCCNC(C)(C)C
InChIInChI=1S/C16H32N2O/c1-15(2,3)17-11-7-9-13-19-14-10-8-12-18-16(4,5)6/h9-10,13-14,17-18H,7-8,11-12H2,1-6H3
InChIKeyVBSUDHAGBFIEKI-UHFFFAOYSA-N
XLogP3.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine (CID 57164007) is N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine is CC(C)(C)NCCC=COC=CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine?
The InChIKey is VBSUDHAGBFIEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)17-11-7-9-13-19-14-10-8-12-18-16(4,5)6/h9-10,13-14,17-18H,7-8,11-12H2,1-6H3.
What are the key properties of N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine?
N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine has a molecular weight of 268.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine is sourced from PubChem (CID 57164007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).