N-tert-butyl-5-ethoxypent-3-en-1-amine

C11H23NO — CID 79598258

IUPACN-tert-butyl-5-ethoxypent-3-en-1-amine
SMILESCCOCC=CCCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-5-13-10-8-6-7-9-12-11(2,3)4/h6,8,12H,5,7,9-10H2,1-4H3
InChIKeyAEUHFDQVJOEGIT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds6

About N-tert-butyl-5-ethoxypent-3-en-1-amine

N-tert-butyl-5-ethoxypent-3-en-1-amine (PubChem CID 79598258) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-tert-butyl-5-ethoxypent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-ethoxypent-3-en-1-amine
PubChem CID79598258
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-tert-butyl-5-ethoxypent-3-en-1-amine
SMILESCCOCC=CCCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-5-13-10-8-6-7-9-12-11(2,3)4/h6,8,12H,5,7,9-10H2,1-4H3
InChIKeyAEUHFDQVJOEGIT-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
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

6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
CID 143591895
(E)-5-methoxy-N-methylpent-3-en-1-amine
CID 143749097
(E)-N-ethyl-5-methoxy-3-methylhex-3-en-1-amine
CID 156192024
2-methyl-N-(3-prop-2-enoxypropyl)propan-2-amine
CID 62442636
N-(3-but-2-enoxypropyl)-2-methylpropan-2-amine
CID 76943460
4-but-2-enoxy-N-tert-butylbutan-1-amine
CID 76943515
N-(2-but-2-enoxyethyl)-2-methylbutan-2-amine
CID 76946825
5-ethoxy-N-methylpent-3-en-1-amine
CID 79590035
N-ethyl-5-propoxypent-3-en-1-amine
CID 79590570
N-ethyl-5-methoxypent-3-en-1-amine
CID 79590813
5-ethoxy-N-ethylpent-3-en-1-amine
CID 79590825
5-ethoxy-N-propylpent-3-en-1-amine
CID 79590841

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethoxypent-3-en-1-amine?
The IUPAC name of N-tert-butyl-5-ethoxypent-3-en-1-amine (CID 79598258) is N-tert-butyl-5-ethoxypent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-5-ethoxypent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-5-ethoxypent-3-en-1-amine is CCOCC=CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-ethoxypent-3-en-1-amine?
The InChIKey is AEUHFDQVJOEGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-13-10-8-6-7-9-12-11(2,3)4/h6,8,12H,5,7,9-10H2,1-4H3.
What are the key properties of N-tert-butyl-5-ethoxypent-3-en-1-amine?
N-tert-butyl-5-ethoxypent-3-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethoxypent-3-en-1-amine is sourced from PubChem (CID 79598258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).