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

C11H21NO — CID 103074318

IUPACN-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
SMILESC=CCOCC(=C)CNC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-7-13-9-10(2)8-12-11(3,4)5/h6,12H,1-2,7-9H2,3-5H3
InChIKeyIFBQBWNNABRMMK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds6

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

N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine (PubChem CID 103074318) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
PubChem CID103074318
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
SMILESC=CCOCC(=C)CNC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-7-13-9-10(2)8-12-11(3,4)5/h6,12H,1-2,7-9H2,3-5H3
InChIKeyIFBQBWNNABRMMK-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.13
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
N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 103074530
N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine
CID 103074561
2-(prop-2-enoxymethyl)prop-2-en-1-ol
CID 130130392
N-tert-butyl-2-methylidenebut-3-en-1-amine
CID 123407105
N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
CID 103074726
N-tert-butyl-2-(furan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074352
N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074450
2-[(4-bromo-2,5-dichlorophenoxy)methyl]-N-tert-butylprop-2-en-1-amine
CID 107659689
N-tert-butyl-2-[(4-chloro-3,5-dimethylphenoxy)methyl]prop-2-en-1-amine
CID 103066935
2-(prop-2-enoxymethyl)buta-1,3-diene
CID 13347168
2-chloro-3-prop-2-enoxyprop-1-ene
CID 13215592

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine (CID 103074318) is N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine is C=CCOCC(=C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The InChIKey is IFBQBWNNABRMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-13-9-10(2)8-12-11(3,4)5/h6,12H,1-2,7-9H2,3-5H3.
What are the key properties of N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).