(Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine

C10H21NO2 — CID 163562568

IUPAC(Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine
SMILESC/C=C\C(C)(C)NC(COC)OC
InChIInChI=1S/C10H21NO2/c1-6-7-10(2,3)11-9(13-5)8-12-4/h6-7,9,11H,8H2,1-5H3/b7-6-
InChIKeyFSMLCLSXWQZJMT-SREVYHEPSA-N
MW187.28 g/mol
LogP1.55
Rot. Bonds6

About (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine

(Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine (PubChem CID 163562568) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine
PubChem CID163562568
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine
SMILESC/C=C\C(C)(C)NC(COC)OC
InChIInChI=1S/C10H21NO2/c1-6-7-10(2,3)11-9(13-5)8-12-4/h6-7,9,11H,8H2,1-5H3/b7-6-
InChIKeyFSMLCLSXWQZJMT-SREVYHEPSA-N
XLogP1.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(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-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine
CID 171106532
N-(2-methoxyethyl)-4,4-dimethylpent-2-en-1-amine
CID 79341184
N-(2-methoxyethyl)-4-methylpent-2-en-1-amine
CID 79346772
N-ethyl-1-(2-methoxyethoxy)-4-methylpent-3-en-2-amine
CID 108055817
1-(2-methoxyethoxy)-4-methyl-N-propylpent-3-en-2-amine
CID 108055818
1-(2-methoxyethoxy)-N,4-dimethylpent-3-en-2-amine
CID 108055822
(E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pent-3-en-1-amine
CID 116033814
(E)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pent-3-en-1-amine
CID 116034071
(E)-N-[2-(2-methoxyethoxy)ethyl]pent-3-en-1-amine
CID 116034222
N-[2-(2-methoxyethoxy)ethyl]but-3-en-2-amine
CID 116145785

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine?
The IUPAC name of (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine (CID 163562568) is (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine.
What is the SMILES notation for (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine?
The canonical SMILES for (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine is C/C=C\C(C)(C)NC(COC)OC.
What is the InChIKey of (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine?
The InChIKey is FSMLCLSXWQZJMT-SREVYHEPSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-7-10(2,3)11-9(13-5)8-12-4/h6-7,9,11H,8H2,1-5H3/b7-6-.
What are the key properties of (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine?
(Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,2-dimethoxyethyl)-2-methylpent-3-en-2-amine is sourced from PubChem (CID 163562568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).