N-ethyl-5-methoxy-5-methylhex-1-en-3-amine

C10H21NO — CID 103028094

IUPACN-ethyl-5-methoxy-5-methylhex-1-en-3-amine
SMILESC=CC(CC(C)(C)OC)NCC
InChIInChI=1S/C10H21NO/c1-6-9(11-7-2)8-10(3,4)12-5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyHBNIVWRRJOCNRU-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds6

About N-ethyl-5-methoxy-5-methylhex-1-en-3-amine

N-ethyl-5-methoxy-5-methylhex-1-en-3-amine (PubChem CID 103028094) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-ethyl-5-methoxy-5-methylhex-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-5-methylhex-1-en-3-amine
PubChem CID103028094
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-ethyl-5-methoxy-5-methylhex-1-en-3-amine
SMILESC=CC(CC(C)(C)OC)NCC
InChIInChI=1S/C10H21NO/c1-6-9(11-7-2)8-10(3,4)12-5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyHBNIVWRRJOCNRU-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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

3-hex-5-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 146434889
4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine
CID 43146954
N-(4-methoxy-4-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 65700674
N-ethyl-2-methoxy-2-methylhex-5-en-3-amine
CID 79196992
2-methoxy-N,2-dimethylhept-6-en-3-amine
CID 79197556
2-methoxy-N,2-dimethylhex-5-en-3-amine
CID 79197791
2-methoxy-2-methyl-N-propylhept-6-en-3-amine
CID 79197937
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
N-ethyl-2-methoxy-2-methylhept-6-en-3-amine
CID 79198617
6-methoxy-N,6-dimethylhept-1-en-4-amine
CID 103024963
N-ethyl-6-methoxy-6-methylhept-1-en-4-amine
CID 103024964
6-methoxy-6-methyl-N-propylhept-1-en-4-amine
CID 103024965

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-5-methylhex-1-en-3-amine?
The IUPAC name of N-ethyl-5-methoxy-5-methylhex-1-en-3-amine (CID 103028094) is N-ethyl-5-methoxy-5-methylhex-1-en-3-amine.
What is the SMILES notation for N-ethyl-5-methoxy-5-methylhex-1-en-3-amine?
The canonical SMILES for N-ethyl-5-methoxy-5-methylhex-1-en-3-amine is C=CC(CC(C)(C)OC)NCC.
What is the InChIKey of N-ethyl-5-methoxy-5-methylhex-1-en-3-amine?
The InChIKey is HBNIVWRRJOCNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(11-7-2)8-10(3,4)12-5/h6,9,11H,1,7-8H2,2-5H3.
What are the key properties of N-ethyl-5-methoxy-5-methylhex-1-en-3-amine?
N-ethyl-5-methoxy-5-methylhex-1-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-5-methylhex-1-en-3-amine is sourced from PubChem (CID 103028094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).