7-methoxy-7-methyloct-1-en-4-amine

C10H21NO — CID 103036043

IUPAC7-methoxy-7-methyloct-1-en-4-amine
SMILESC=CCC(N)CCC(C)(C)OC
InChIInChI=1S/C10H21NO/c1-5-6-9(11)7-8-10(2,3)12-4/h5,9H,1,6-8,11H2,2-4H3
InChIKeyIMECPOTYEOSVLI-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds6

About 7-methoxy-7-methyloct-1-en-4-amine

7-methoxy-7-methyloct-1-en-4-amine (PubChem CID 103036043) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 7-methoxy-7-methyloct-1-en-4-amine.

Molecular Properties

Compound Name7-methoxy-7-methyloct-1-en-4-amine
PubChem CID103036043
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name7-methoxy-7-methyloct-1-en-4-amine
SMILESC=CCC(N)CCC(C)(C)OC
InChIInChI=1S/C10H21NO/c1-5-6-9(11)7-8-10(2,3)12-4/h5,9H,1,6-8,11H2,2-4H3
InChIKeyIMECPOTYEOSVLI-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 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 ≤ 52.10
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

(3S)-5-(3,3-dimethyloxiran-2-yl)pent-1-en-3-amine
CID 146180433
2-Methoxy-2-methylhept-6-en-3-amine
CID 79197423
2-methoxy-N,2-dimethyloct-7-en-3-amine
CID 79197553
2-Methoxy-2-methyloct-7-en-3-amine
CID 79197658
2-Methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79197661
6-Methoxy-6-methylhept-1-en-4-amine
CID 103024962
(7-Methoxy-7-methyloct-1-en-4-yl)hydrazine
CID 103027061
2-methoxy-N,2-dimethylnon-8-en-4-amine
CID 103027271
2-Methoxy-2-methylnon-8-en-4-amine
CID 103027272
2-methoxy-N,2-dimethyloct-7-en-4-amine
CID 103027275
2-Methoxy-2-methyloct-7-en-4-amine
CID 103027276
N-ethyl-2-methoxy-2-methyloct-7-en-4-amine
CID 103027277

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-methyloct-1-en-4-amine?
The IUPAC name of 7-methoxy-7-methyloct-1-en-4-amine (CID 103036043) is 7-methoxy-7-methyloct-1-en-4-amine.
What is the SMILES notation for 7-methoxy-7-methyloct-1-en-4-amine?
The canonical SMILES for 7-methoxy-7-methyloct-1-en-4-amine is C=CCC(N)CCC(C)(C)OC.
What is the InChIKey of 7-methoxy-7-methyloct-1-en-4-amine?
The InChIKey is IMECPOTYEOSVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-9(11)7-8-10(2,3)12-4/h5,9H,1,6-8,11H2,2-4H3.
What are the key properties of 7-methoxy-7-methyloct-1-en-4-amine?
7-methoxy-7-methyloct-1-en-4-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-methyloct-1-en-4-amine is sourced from PubChem (CID 103036043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).