N-(2-methoxyethyl)-4-methylhex-2-en-1-amine

C10H21NO — CID 115278166

IUPACN-(2-methoxyethyl)-4-methylhex-2-en-1-amine
SMILESCCC(C)C=CCNCCOC
InChIInChI=1S/C10H21NO/c1-4-10(2)6-5-7-11-8-9-12-3/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeySBOWUKBBECHABK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.82
Rot. Bonds7

About N-(2-methoxyethyl)-4-methylhex-2-en-1-amine

N-(2-methoxyethyl)-4-methylhex-2-en-1-amine (PubChem CID 115278166) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methylhex-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methylhex-2-en-1-amine
PubChem CID115278166
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-methoxyethyl)-4-methylhex-2-en-1-amine
SMILESCCC(C)C=CCNCCOC
InChIInChI=1S/C10H21NO/c1-4-10(2)6-5-7-11-8-9-12-3/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeySBOWUKBBECHABK-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-propan-2-ylhex-2-en-1-amine
CID 115278158
2-(2-methoxyethylamino)acetaldehyde
CID 54243184
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
3,6-dimethyloct-4-ene
CID 73165576
ethane;N-ethyl-2-methoxyethanamine
CID 53486475
CID 177329395
CID 177329395
N-(2-methoxyethyl)butan-2-amine
CID 43190188
N-(3-methoxypropyl)but-2-en-1-amine
CID 141114673
(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine
CID 79592541
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
6-ethyl-N-(2-methoxyethyl)dec-3-en-1-amine
CID 79599040
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methylhex-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methylhex-2-en-1-amine (CID 115278166) is N-(2-methoxyethyl)-4-methylhex-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methylhex-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methylhex-2-en-1-amine is CCC(C)C=CCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-4-methylhex-2-en-1-amine?
The InChIKey is SBOWUKBBECHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(2)6-5-7-11-8-9-12-3/h5-6,10-11H,4,7-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-methylhex-2-en-1-amine?
N-(2-methoxyethyl)-4-methylhex-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methylhex-2-en-1-amine is sourced from PubChem (CID 115278166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).