N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine

C14H29NO — CID 103074541

IUPACN-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCCC(C)C
InChIInChI=1S/C14H29NO/c1-12(2)8-7-9-16-11-13(3)10-15-14(4,5)6/h12,15H,3,7-11H2,1-2,4-6H3
InChIKeyVIRIAJFRJAUWHJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds8

About N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine (PubChem CID 103074541) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
PubChem CID103074541
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCCC(C)C
InChIInChI=1S/C14H29NO/c1-12(2)8-7-9-16-11-13(3)10-15-14(4,5)6/h12,15H,3,7-11H2,1-2,4-6H3
InChIKeyVIRIAJFRJAUWHJ-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
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-(cyclopentyloxymethyl)prop-2-en-1-amine
CID 103074332
N-tert-butyl-2-(methoxymethyl)prop-2-en-1-amine
CID 103074359
N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine
CID 103074366
N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074382
N-[2-(3-methylbutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074383
2-(3-methylbutoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074384
N-tert-butyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074385
2-(3-methylbutoxymethyl)-N-propylprop-2-en-1-amine
CID 103074386
N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074388
N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074398
N-ethyl-2-(2-methylpropoxymethyl)prop-2-en-1-amine
CID 103074422
2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074424

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine (CID 103074541) is N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCCCC(C)C.
What is the InChIKey of N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The InChIKey is VIRIAJFRJAUWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)8-7-9-16-11-13(3)10-15-14(4,5)6/h12,15H,3,7-11H2,1-2,4-6H3.
What are the key properties of N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).