2-methoxy-2-methyl-N-propyldec-9-en-3-amine

C15H31NO — CID 107009419

IUPAC2-methoxy-2-methyl-N-propyldec-9-en-3-amine
SMILESC=CCCCCCC(NCCC)C(C)(C)OC
InChIInChI=1S/C15H31NO/c1-6-8-9-10-11-12-14(16-13-7-2)15(3,4)17-5/h6,14,16H,1,7-13H2,2-5H3
InChIKeyKVMOPDOGVNBDGH-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.92
Rot. Bonds11

About 2-methoxy-2-methyl-N-propyldec-9-en-3-amine

2-methoxy-2-methyl-N-propyldec-9-en-3-amine (PubChem CID 107009419) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-propyldec-9-en-3-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-propyldec-9-en-3-amine
PubChem CID107009419
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-methoxy-2-methyl-N-propyldec-9-en-3-amine
SMILESC=CCCCCCC(NCCC)C(C)(C)OC
InChIInChI=1S/C15H31NO/c1-6-8-9-10-11-12-14(16-13-7-2)15(3,4)17-5/h6,14,16H,1,7-13H2,2-5H3
InChIKeyKVMOPDOGVNBDGH-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.92
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

2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine
CID 107009714
7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134
1-methoxy-N-propyldec-9-en-3-amine
CID 107008934
3-methoxy-3-methyl-N-propyloct-7-en-4-amine
CID 116758336
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2-ethoxy-N-propyldec-9-en-3-amine
CID 107009140
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
N,4-dipropyldodec-11-en-5-amine
CID 107011617

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-propyldec-9-en-3-amine?
The IUPAC name of 2-methoxy-2-methyl-N-propyldec-9-en-3-amine (CID 107009419) is 2-methoxy-2-methyl-N-propyldec-9-en-3-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-propyldec-9-en-3-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-propyldec-9-en-3-amine is C=CCCCCCC(NCCC)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-N-propyldec-9-en-3-amine?
The InChIKey is KVMOPDOGVNBDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-8-9-10-11-12-14(16-13-7-2)15(3,4)17-5/h6,14,16H,1,7-13H2,2-5H3.
What are the key properties of 2-methoxy-2-methyl-N-propyldec-9-en-3-amine?
2-methoxy-2-methyl-N-propyldec-9-en-3-amine has a molecular weight of 241.42 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-propyldec-9-en-3-amine is sourced from PubChem (CID 107009419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).