N-ethyl-1-methoxy-6-methylhept-6-en-3-amine

C11H23NO — CID 114474356

IUPACN-ethyl-1-methoxy-6-methylhept-6-en-3-amine
SMILESC=C(C)CCC(CCOC)NCC
InChIInChI=1S/C11H23NO/c1-5-12-11(8-9-13-4)7-6-10(2)3/h11-12H,2,5-9H2,1,3-4H3
InChIKeyGONJVSMLFUIQKB-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds8

About N-ethyl-1-methoxy-6-methylhept-6-en-3-amine

N-ethyl-1-methoxy-6-methylhept-6-en-3-amine (PubChem CID 114474356) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-1-methoxy-6-methylhept-6-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-6-methylhept-6-en-3-amine
PubChem CID114474356
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-1-methoxy-6-methylhept-6-en-3-amine
SMILESC=C(C)CCC(CCOC)NCC
InChIInChI=1S/C11H23NO/c1-5-12-11(8-9-13-4)7-6-10(2)3/h11-12H,2,5-9H2,1,3-4H3
InChIKeyGONJVSMLFUIQKB-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
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

N-ethyl-6-methyl-1-methylsulfanylhept-6-en-3-amine
CID 105182606
N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
CID 102928326
N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine
CID 105039511
1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
CID 105039575
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
N-ethyl-2-methoxy-6-methylhept-6-en-3-amine
CID 114475383
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655
1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474287
1-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 105182739
N-ethyl-6-methoxy-2-methylhex-1-en-3-amine
CID 79177505
N-ethyl-1-methoxy-5-methylhex-4-en-3-amine
CID 79190520
4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol
CID 106159692

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-6-methylhept-6-en-3-amine?
The IUPAC name of N-ethyl-1-methoxy-6-methylhept-6-en-3-amine (CID 114474356) is N-ethyl-1-methoxy-6-methylhept-6-en-3-amine.
What is the SMILES notation for N-ethyl-1-methoxy-6-methylhept-6-en-3-amine?
The canonical SMILES for N-ethyl-1-methoxy-6-methylhept-6-en-3-amine is C=C(C)CCC(CCOC)NCC.
What is the InChIKey of N-ethyl-1-methoxy-6-methylhept-6-en-3-amine?
The InChIKey is GONJVSMLFUIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-12-11(8-9-13-4)7-6-10(2)3/h11-12H,2,5-9H2,1,3-4H3.
What are the key properties of N-ethyl-1-methoxy-6-methylhept-6-en-3-amine?
N-ethyl-1-methoxy-6-methylhept-6-en-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-6-methylhept-6-en-3-amine is sourced from PubChem (CID 114474356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).