N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine

C16H33NO — CID 103074561

IUPACN-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCCCCCCC
InChIInChI=1S/C16H33NO/c1-6-7-8-9-10-11-12-18-14-15(2)13-17-16(3,4)5/h17H,2,6-14H2,1,3-5H3
InChIKeyNJHZUFPTMPJGDA-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.31
Rot. Bonds11

About N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine (PubChem CID 103074561) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine
PubChem CID103074561
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCCCCCCC
InChIInChI=1S/C16H33NO/c1-6-7-8-9-10-11-12-18-14-15(2)13-17-16(3,4)5/h17H,2,6-14H2,1,3-5H3
InChIKeyNJHZUFPTMPJGDA-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074373
1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
N-ethyl-2-(heptoxymethyl)prop-2-en-1-amine
CID 103074509
2-(heptoxymethyl)prop-2-en-1-amine
CID 103074513
N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074318
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074642
N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 103074530
N-[2-(butoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074641
N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
CID 103074726
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
N-(2-butoxyethyl)-2-methylpropan-2-amine
CID 61483179

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine (CID 103074561) is N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCCCCCCCC.
What is the InChIKey of N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine?
The InChIKey is NJHZUFPTMPJGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-7-8-9-10-11-12-18-14-15(2)13-17-16(3,4)5/h17H,2,6-14H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).