(E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine

C11H23NO — CID 116503531

IUPAC(E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine
SMILESCOCC(C)/C=C/CNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(9-13-5)7-6-8-12-11(2,3)4/h6-7,10,12H,8-9H2,1-5H3/b7-6+
InChIKeyFRKFBSNMHOIUGB-VOTSOKGWSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds5

About (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine

(E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine (PubChem CID 116503531) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine
PubChem CID116503531
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine
SMILESCOCC(C)/C=C/CNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(9-13-5)7-6-8-12-11(2,3)4/h6-7,10,12H,8-9H2,1-5H3/b7-6+
InChIKeyFRKFBSNMHOIUGB-VOTSOKGWSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-ethoxy-N-methylpent-2-en-1-amine
CID 89469234
N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine
CID 91122924
(Z)-6-methoxy-N-methylhex-3-en-1-amine
CID 117267285
(Z)-N-(1-methoxyethyl)-2-methylhex-3-en-2-amine
CID 163907496
(E)-N-tert-butyl-4-methylpent-2-en-1-amine
CID 166909987
6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine
CID 166966861
N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene
CID 169113520
(E)-6-(2-methylpropoxy)hex-3-en-2-amine
CID 169905787
5-Methoxypent-2-enyl-di(propan-2-yl)azanium
CID 4083277
N-(2-methoxyethyl)-4-methylpent-2-en-1-amine
CID 79346772
N-tert-butyl-4-methylpent-2-en-1-amine
CID 79347183
2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine
CID 79348064

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine (CID 116503531) is (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine is COCC(C)/C=C/CNC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine?
The InChIKey is FRKFBSNMHOIUGB-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(9-13-5)7-6-8-12-11(2,3)4/h6-7,10,12H,8-9H2,1-5H3/b7-6+.
What are the key properties of (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine?
(E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine is sourced from PubChem (CID 116503531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).