N-tert-butyl-4-prop-2-enoxybutan-1-amine

C11H23NO — CID 62442084

IUPACN-tert-butyl-4-prop-2-enoxybutan-1-amine
SMILESC=CCOCCCCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-5-9-13-10-7-6-8-12-11(2,3)4/h5,12H,1,6-10H2,2-4H3
InChIKeyMNJVOMKERKFDLH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds7

About N-tert-butyl-4-prop-2-enoxybutan-1-amine

N-tert-butyl-4-prop-2-enoxybutan-1-amine (PubChem CID 62442084) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-tert-butyl-4-prop-2-enoxybutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-prop-2-enoxybutan-1-amine
PubChem CID62442084
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-tert-butyl-4-prop-2-enoxybutan-1-amine
SMILESC=CCOCCCCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-5-9-13-10-7-6-8-12-11(2,3)4/h5,12H,1,6-10H2,2-4H3
InChIKeyMNJVOMKERKFDLH-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-prop-2-enoxybutan-1-amine?
The IUPAC name of N-tert-butyl-4-prop-2-enoxybutan-1-amine (CID 62442084) is N-tert-butyl-4-prop-2-enoxybutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-prop-2-enoxybutan-1-amine?
The canonical SMILES for N-tert-butyl-4-prop-2-enoxybutan-1-amine is C=CCOCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-prop-2-enoxybutan-1-amine?
The InChIKey is MNJVOMKERKFDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-9-13-10-7-6-8-12-11(2,3)4/h5,12H,1,6-10H2,2-4H3.
What are the key properties of N-tert-butyl-4-prop-2-enoxybutan-1-amine?
N-tert-butyl-4-prop-2-enoxybutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-prop-2-enoxybutan-1-amine is sourced from PubChem (CID 62442084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).