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

C13H25NO — CID 103074876

IUPACN-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine
SMILESC=CCCCOCC(=C)CNC(C)(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-9-15-11-12(2)10-14-13(3,4)5/h6,14H,1-2,7-11H2,3-5H3
InChIKeyFVFPXDDKXTXZGH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds8

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

N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine (PubChem CID 103074876) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine
PubChem CID103074876
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine
SMILESC=CCCCOCC(=C)CNC(C)(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-9-15-11-12(2)10-14-13(3,4)5/h6,14H,1-2,7-11H2,3-5H3
InChIKeyFVFPXDDKXTXZGH-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
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

3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
CID 142038615
3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine
CID 59810890
2-methyl-N-(3-prop-2-enoxypropyl)propan-2-amine
CID 62442636
3-(2-methylidenebutoxy)-N-propan-2-ylpropan-1-amine
CID 66045505
2-methyl-N-(3-pent-4-enoxypropyl)propan-2-amine
CID 79114568
N-tert-butyl-2,2-dimethyl-3-prop-2-enoxypropan-1-amine
CID 79620521
N-tert-butyl-2,2-dimethyl-3-pent-4-enoxypropan-1-amine
CID 79628143
2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074244
N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074245
2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074246
2-(but-3-enoxymethyl)-N-tert-butylprop-2-en-1-amine
CID 103074247

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine (CID 103074876) is N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine is C=CCCCOCC(=C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine?
The InChIKey is FVFPXDDKXTXZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-7-8-9-15-11-12(2)10-14-13(3,4)5/h6,14H,1-2,7-11H2,3-5H3.
What are the key properties of N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.91, 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-(pent-4-enoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).