2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine

C12H25NO — CID 103074643

IUPAC2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCCC
InChIInChI=1S/C12H25NO/c1-6-7-8-14-10-11(2)9-13-12(3,4)5/h13H,2,6-10H2,1,3-5H3
InChIKeyQPGXLVLUKFNYSC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds7

About 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine

2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine (PubChem CID 103074643) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine
PubChem CID103074643
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCCC
InChIInChI=1S/C12H25NO/c1-6-7-8-14-10-11(2)9-13-12(3,4)5/h13H,2,6-10H2,1,3-5H3
InChIKeyQPGXLVLUKFNYSC-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
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-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-tert-butyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074890
N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
CID 103074931
2-(2,2-difluoroethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075028
N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
CID 103075029
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075039
N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075042
N-tert-butyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075043

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine?
The IUPAC name of 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine (CID 103074643) is 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine.
What is the SMILES notation for 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine?
The canonical SMILES for 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine is C=C(CNC(C)(C)C)COCCCC.
What is the InChIKey of 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine?
The InChIKey is QPGXLVLUKFNYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-7-8-14-10-11(2)9-13-12(3,4)5/h13H,2,6-10H2,1,3-5H3.
What are the key properties of 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine?
2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine is sourced from PubChem (CID 103074643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).