(E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine

C10H21NO — CID 103092485

IUPAC(E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine
SMILESCCNC(C)/C=C/C(C)COC
InChIInChI=1S/C10H21NO/c1-5-11-10(3)7-6-9(2)8-12-4/h6-7,9-11H,5,8H2,1-4H3/b7-6+
InChIKeyCMPZJKPXROHKTN-VOTSOKGWSA-N
MW171.28 g/mol
LogP1.82
Rot. Bonds6

About (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine

(E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine (PubChem CID 103092485) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine
PubChem CID103092485
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine
SMILESCCNC(C)/C=C/C(C)COC
InChIInChI=1S/C10H21NO/c1-5-11-10(3)7-6-9(2)8-12-4/h6-7,9-11H,5,8H2,1-4H3/b7-6+
InChIKeyCMPZJKPXROHKTN-VOTSOKGWSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.82
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

4-methylpent-2-ene;2-propan-2-yloxypropane;N-propan-2-ylpropan-2-amine
CID 53887637
2-ethoxypropane;4-methylpent-2-ene;N-propan-2-ylpropan-2-amine
CID 53889969
4-methyl-N-propan-2-ylpent-2-en-1-amine
CID 79347587
(E)-4-methyl-N-propan-2-ylpent-2-en-1-amine
CID 83694326
(Z)-5-ethoxy-N-methylpent-2-en-1-amine
CID 89469234
(Z)-6-methoxy-N-methylhex-3-en-1-amine
CID 117267285
(E,2S,5S)-2-methyl-5-(methylamino)hex-3-en-1-ol
CID 159932146
(Z)-N-(1-methoxyethyl)-2-methylhex-3-en-2-amine
CID 163907496
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
N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine
CID 171106532

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine?
The IUPAC name of (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine (CID 103092485) is (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine?
The canonical SMILES for (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine is CCNC(C)/C=C/C(C)COC.
What is the InChIKey of (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine?
The InChIKey is CMPZJKPXROHKTN-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-11-10(3)7-6-9(2)8-12-4/h6-7,9-11H,5,8H2,1-4H3/b7-6+.
What are the key properties of (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine?
(E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-6-methoxy-5-methylhex-3-en-2-amine is sourced from PubChem (CID 103092485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).