ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine

C11H25NO — CID 145468293

IUPACethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine
SMILESC=C(OC)C(NCC)C(C)C.CC
InChIInChI=1S/C9H19NO.C2H6/c1-6-10-9(7(2)3)8(4)11-5;1-2/h7,9-10H,4,6H2,1-3,5H3;1-2H3
InChIKeyHJDRMDFWRZMWFL-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.81
Rot. Bonds5

About ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine

ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine (PubChem CID 145468293) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Nameethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine
PubChem CID145468293
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine
SMILESC=C(OC)C(NCC)C(C)C.CC
InChIInChI=1S/C9H19NO.C2H6/c1-6-10-9(7(2)3)8(4)11-5;1-2/h7,9-10H,4,6H2,1-3,5H3;1-2H3
InChIKeyHJDRMDFWRZMWFL-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-methylidene-N-propan-2-yloxolan-3-amine
CID 10678460
2-ethenoxy-N-prop-2-enylpent-1-en-3-amine
CID 88757679
2-ethoxy-N-prop-2-enylpent-1-en-3-amine
CID 88758604
2-methoxy-N-prop-2-enylpent-1-en-3-amine
CID 88758649
N-ethyl-2-methoxy-4-methylpent-1-en-3-amine
CID 89244092
N,4-dimethyl-2-propan-2-yloxypent-1-en-3-amine
CID 123675374
2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine
CID 129043449
(3R)-N,5-dimethyl-2-propan-2-yloxyhex-1-en-3-amine
CID 145642012
N,5-dimethyl-2-propan-2-yloxyhex-1-en-3-amine
CID 147933934
1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine
CID 155276622
2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine
CID 167149752
(3R)-4-methoxy-N,2-dimethylhex-4-en-3-amine
CID 173558129

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine?
The IUPAC name of ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine (CID 145468293) is ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine.
What is the SMILES notation for ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine?
The canonical SMILES for ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine is C=C(OC)C(NCC)C(C)C.CC.
What is the InChIKey of ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine?
The InChIKey is HJDRMDFWRZMWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-6-10-9(7(2)3)8(4)11-5;1-2/h7,9-10H,4,6H2,1-3,5H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine?
ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methoxy-4-methylpent-1-en-3-amine is sourced from PubChem (CID 145468293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).