(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine

C16H33N — CID 89311785

IUPAC(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine
SMILESC=C([C@H](CCCCCCC)CC(C)C)N(C)C
InChIInChI=1S/C16H33N/c1-7-8-9-10-11-12-16(13-14(2)3)15(4)17(5)6/h14,16H,4,7-13H2,1-3,5-6H3/t16-/m1/s1
InChIKeyCEZPNAUWSQUFIW-MRXNPFEDSA-N
MW239.45 g/mol
LogP5.08
Rot. Bonds10

About (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine

(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine (PubChem CID 89311785) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine
PubChem CID89311785
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine
SMILESC=C([C@H](CCCCCCC)CC(C)C)N(C)C
InChIInChI=1S/C16H33N/c1-7-8-9-10-11-12-16(13-14(2)3)15(4)17(5)6/h14,16H,4,7-13H2,1-3,5-6H3/t16-/m1/s1
InChIKeyCEZPNAUWSQUFIW-MRXNPFEDSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine?
The IUPAC name of (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine (CID 89311785) is (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine?
The canonical SMILES for (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine is C=C([C@H](CCCCCCC)CC(C)C)N(C)C.
What is the InChIKey of (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine?
The InChIKey is CEZPNAUWSQUFIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H33N/c1-7-8-9-10-11-12-16(13-14(2)3)15(4)17(5)6/h14,16H,4,7-13H2,1-3,5-6H3/t16-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine?
(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine has a molecular weight of 239.45 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine is sourced from PubChem (CID 89311785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).